7,7´-{propane-1,3-diylbis[imino(6-fluoro- Heteromonocycldiyl)imino[2-substituted-4,1- Phenylene]diazene-2,1-diyl]}dinaphthalene-polysulfonic Acid, Sodium Salt

1,3,6-Naphthalenetrisulfonic acid, 7,7′-[1,3-propanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:?)
1,3,6-Naphthalenetrisulfonic acid, 7,7′-[1,3-propanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis-, sodium salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	JPLCRGQNZBIJND-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C43H36F2N18O20S6.Na/c44-36-54-40(58-42(56-36)50-20-2-4-26(28(12-20)52-38(46)64)60-62-30-16-24-18(10-34(30)88(78,79)80)8-22(84(66,67)68)14-32(24)86(72,73)74)48-6-1-7-49-41-55-37(45)57-43(59-41)51-21-3-5-27(29(13-21)53-39(47)65)61-63-31-17-25-19(11-35(31)89(81,82)83)9-23(85(69,70)71)15-33(25)87(75,76)77;/h2-5,8-17H,1,6-7H2,(H3,46,52,64)(H3,47,53,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,48,50,54,56,58)(H2,49,51,55,57,59);/q;+1
IUPAC name chemrof:IUPAC_name	sodium 7-[2-(carbamoylamino)-4-[[4-[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfo-2-naphthalenyl)azo]anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid, sodium 7-[4-[[4-fluoro-6-[3-[[4-fluoro-6-[4-[(3,6,8-trisulfo-2-naphthyl)azo]-3-ureido-anilino]-1,3,5-triazin-2-yl]amino]propylamino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid, sodium 7-[4-[[4-fluoro-6-[3-[[4-fluoro-6-[4-[(3,6,8-trisulfo-2-naphthyl)azo]-3-ureido-anilino]-s-triazin-2-yl]amino]propylamino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid, sodium 7-[[2-(aminocarbonylamino)-4-[[4-[3-[[4-[[3-(aminocarbonylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]phenyl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid, sodium 7-[[2-(carbamoylamino)-4-[[4-[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Molecular formula chemrof:molecular_formula	C43H36F2N18NaO20S6+
Molecular mass chemrof:molecular_mass	1378.255
Monoisotopic mass chemrof:monoisotopic_mass	1377.053779
SMILES string chemrof:smiles_string	C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCCNC3=NC(=NC(=N3)F)NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F)NC(=O)N)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=143683-24-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.113.665	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/132427630	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
32d28627-9d12-44c5-8d3c-71248844e061	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
5b3ddfc1-9ffb-4d69-9b84-4a8371eea45d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
58444814-8873-4c8c-ade4-41585ce019b1	Environmental → Air → Indoor	EF 3.1	kg	4
4fc4a45a-8596-43fb-a8da-774bd6965420	Environmental → Air → Long-term	EF 3.1	kg	0
3a5caecd-d20d-4053-ab07-040d1fbebb54	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
1d31ad21-54c4-49de-9b07-5410ea60a9c6	Environmental → Air → Unknown	EF 3.1	kg	4
0e862ed7-8b89-4e1c-8e40-8e2d06353fce	Environmental → Ground → Agricultural	EF 3.1	kg	4
124ef1bc-5237-43c1-b6c2-a407820a2366	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
364da9aa-a2ff-4944-94c1-e95fad7dca9d	Environmental → Ground → Unknown	EF 3.1	kg	4
16e137fb-f73e-47ce-a85a-25a7569b3a20	Environmental → Water → Long-term	EF 3.1	kg	0
7467ecb4-344c-4ce0-938a-1a311cf1bb7d	Environmental → Water → Ocean	EF 3.1	kg	4
bd4c4351-df0c-4d5d-87bd-cd1adfe7b8db	Environmental → Water → Surface water	EF 3.1	kg	4
af541396-5249-4fc3-a35a-fd6dfd417c1f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-f32f4f025c7234f6",
  "prefLabel": [
    {
      "@value": "7,7´-{propane-1,3-diylbis[imino(6-fluoro- Heteromonocycldiyl)imino[2-substituted-4,1- Phenylene]diazene-2,1-diyl]}dinaphthalene-polysulfonic Acid, Sodium Salt",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,6-Naphthalenetrisulfonic acid, 7,7′-[1,3-propanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:?)",
      "@language": "en",
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      }
    },
    {
      "@value": "1,3,6-Naphthalenetrisulfonic acid, 7,7′-[1,3-propanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis-, sodium salt",
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  ],
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        "C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCCNC3=NC(=NC(=N3)F)NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F)NC(=O)N)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]"
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C43H36F2N18O20S6.Na/c44-36-54-40(58-42(56-36)50-20-2-4-26(28(12-20)52-38(46)64)60-62-30-16-24-18(10-34(30)88(78,79)80)8-22(84(66,67)68)14-32(24)86(72,73)74)48-6-1-7-49-41-55-37(45)57-43(59-41)51-21-3-5-27(29(13-21)53-39(47)65)61-63-31-17-25-19(11-35(31)89(81,82)83)9-23(85(69,70)71)15-33(25)87(75,76)77;/h2-5,8-17H,1,6-7H2,(H3,46,52,64)(H3,47,53,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,48,50,54,56,58)(H2,49,51,55,57,59);/q;+1"
      ],
      "attested_by": {
        "InChI=1S/C43H36F2N18O20S6.Na/c44-36-54-40(58-42(56-36)50-20-2-4-26(28(12-20)52-38(46)64)60-62-30-16-24-18(10-34(30)88(78,79)80)8-22(84(66,67)68)14-32(24)86(72,73)74)48-6-1-7-49-41-55-37(45)57-43(59-41)51-21-3-5-27(29(13-21)53-39(47)65)61-63-31-17-25-19(11-35(31)89(81,82)83)9-23(85(69,70)71)15-33(25)87(75,76)77;/h2-5,8-17H,1,6-7H2,(H3,46,52,64)(H3,47,53,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,48,50,54,56,58)(H2,49,51,55,57,59);/q;+1": [
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      },
      "rdfs:label": "InChI",
      "provenance": [
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            "C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCCNC3=NC(=NC(=N3)F)NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F)NC(=O)N)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]"
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    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "sodium 7-[2-(carbamoylamino)-4-[[4-[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfo-2-naphthalenyl)azo]anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid",
        "sodium 7-[4-[[4-fluoro-6-[3-[[4-fluoro-6-[4-[(3,6,8-trisulfo-2-naphthyl)azo]-3-ureido-anilino]-1,3,5-triazin-2-yl]amino]propylamino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid",
        "sodium 7-[4-[[4-fluoro-6-[3-[[4-fluoro-6-[4-[(3,6,8-trisulfo-2-naphthyl)azo]-3-ureido-anilino]-s-triazin-2-yl]amino]propylamino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid",
        "sodium 7-[[2-(aminocarbonylamino)-4-[[4-[3-[[4-[[3-(aminocarbonylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]phenyl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid",
        "sodium 7-[[2-(carbamoylamino)-4-[[4-[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid"
      ],
      "attested_by": {
        "sodium 7-[2-(carbamoylamino)-4-[[4-[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfo-2-naphthalenyl)azo]anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "sodium 7-[4-[[4-fluoro-6-[3-[[4-fluoro-6-[4-[(3,6,8-trisulfo-2-naphthyl)azo]-3-ureido-anilino]-1,3,5-triazin-2-yl]amino]propylamino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "sodium 7-[4-[[4-fluoro-6-[3-[[4-fluoro-6-[4-[(3,6,8-trisulfo-2-naphthyl)azo]-3-ureido-anilino]-s-triazin-2-yl]amino]propylamino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "sodium 7-[[2-(aminocarbonylamino)-4-[[4-[3-[[4-[[3-(aminocarbonylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]phenyl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid": [
          "enrich_references.pubchem_semantic"
        ],
        "sodium 7-[[2-(carbamoylamino)-4-[[4-[3-[[4-[3-(carbamoylamino)-4-[(3,6,8-trisulfonaphthalen-2-yl)diazenyl]anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]propylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid": [
          "enrich_references.pubchem_semantic"
        ]
      },
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        1378.255
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            "C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCCNC3=NC(=NC(=N3)F)NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F)NC(=O)N)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]"
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7,7´-{propane-1,3-diylbis[imino(6-fluoro- Heteromonocycldiyl)imino[2-substituted-4,1- Phenylene]diazene-2,1-diyl]}dinaphthalene-polysulfonic Acid, Sodium Salt

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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