Tetrasodium-1,2-bis(4-fluoro-6-[5-(1-amino-2-sulfonatoanthrachinon-4-ylamino)-2,4,6-trimethyl-3-sulfonatophenylamino]-1,3,5-triazin-2-ylamino)ethane

2-Anthracenesulfonic acid, 4,4′-[1,2-ethanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2,4,6-trimethyl-5-sulfo-3,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxo-, sodium salt
2-Anthracenesulfonic acid, 4,4′-[1,2-ethanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2,4,6-trimethyl-5-sulfo-3,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:?)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	KWLBOZNSJDUHSW-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string	InChI=1S/C54H46F2N14O16S4.4Na/c1-19-39(61-29-17-31(87(75,76)77)37(57)35-33(29)43(71)25-11-7-9-13-27(25)45(35)73)21(3)47(89(81,82)83)23(5)41(19)63-53-67-49(55)65-51(69-53)59-15-16-60-52-66-50(56)68-54(70-52)64-42-20(2)40(22(4)48(24(42)6)90(84,85)86)62-30-18-32(88(78,79)80)38(58)36-34(30)44(72)26-12-8-10-14-28(26)46(36)74;;;;/h7-14,17-18,61-62H,15-16,57-58H2,1-6H3,(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,59,63,65,67,69)(H2,60,64,66,68,70);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name	tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-fluoro-s-triazin-2-yl]amino]ethylamino]-6-fluoro-s-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-diketo-anthracene-2-sulfonate, tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate, tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate, tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate, tetrasodium;1-azanyl-4-[[3-[[4-[2-[[4-[[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
Molecular formula chemrof:molecular_formula	C54H42F2N14Na4O16S4
Molecular mass chemrof:molecular_mass	1401.236
Monoisotopic mass chemrof:monoisotopic_mass	1400.134489
SMILES string chemrof:smiles_string	CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NCCNC3=NC(=NC(=N3)F)NC4=C(C(=C(C(=C4C)NC5=CC(=C(C6=C5C(=O)C7=CC=CC=C7C6=O)N)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C)F)C)S(=O)(=O)[O-])C)NC8=CC(=C(C9=C8C(=O)C1=CC=CC=C1C9=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[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=143683-23-2	enrich_references.consensus_cas_link
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/90470028	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
4cabb2bc-66c3-45fc-bd4c-de8247944fe7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
a66ea017-1f9e-4315-9987-aa703392825c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
5e3388c6-b1b3-4d24-81fe-c87ae5962f20	Environmental → Air → Indoor	EF 3.1	kg	4
08107dca-7ed2-4b48-be22-f6dd925fba05	Environmental → Air → Long-term	EF 3.1	kg	0
ed3f5953-8de5-4550-938c-8cd864dfc040	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
648f57e8-e1ad-4247-b689-96f8553341b3	Environmental → Air → Unknown	EF 3.1	kg	4
708b9c95-31f6-4e79-a4d4-ca080a7b7a63	Environmental → Ground → Agricultural	EF 3.1	kg	4
5952c09a-9d6e-41b9-85a6-24c15eaf34fe	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
da7a5a99-d1b8-4ac1-ba5e-afcd1a90da4b	Environmental → Ground → Unknown	EF 3.1	kg	4
c2aea42d-16b5-4aa7-ac8e-ed38d970de7b	Environmental → Water → Long-term	EF 3.1	kg	0
19e7026e-8144-435d-82f1-04b473143128	Environmental → Water → Ocean	EF 3.1	kg	4
a842a903-36ce-4d41-86c8-2a795cfa0410	Environmental → Water → Surface water	EF 3.1	kg	4
9b541a44-f92e-4b1d-a1ae-dcd30bb42d5c	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

{
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      "@value": "Tetrasodium-1,2-bis(4-fluoro-6-[5-(1-amino-2-sulfonatoanthrachinon-4-ylamino)-2,4,6-trimethyl-3-sulfonatophenylamino]-1,3,5-triazin-2-ylamino)ethane",
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      "@value": "2-Anthracenesulfonic acid, 4,4′-[1,2-ethanediylbis[imino(6-fluoro-1,3,5-triazine-4,2-diyl)imino(2,4,6-trimethyl-5-sulfo-3,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxo-, sodium salt",
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      "@value": [
        "InChI=1S/C54H46F2N14O16S4.4Na/c1-19-39(61-29-17-31(87(75,76)77)37(57)35-33(29)43(71)25-11-7-9-13-27(25)45(35)73)21(3)47(89(81,82)83)23(5)41(19)63-53-67-49(55)65-51(69-53)59-15-16-60-52-66-50(56)68-54(70-52)64-42-20(2)40(22(4)48(24(42)6)90(84,85)86)62-30-18-32(88(78,79)80)38(58)36-34(30)44(72)26-12-8-10-14-28(26)46(36)74;;;;/h7-14,17-18,61-62H,15-16,57-58H2,1-6H3,(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,59,63,65,67,69)(H2,60,64,66,68,70);;;;/q;4*+1/p-4"
      ],
      "attested_by": {
        "InChI=1S/C54H46F2N14O16S4.4Na/c1-19-39(61-29-17-31(87(75,76)77)37(57)35-33(29)43(71)25-11-7-9-13-27(25)45(35)73)21(3)47(89(81,82)83)23(5)41(19)63-53-67-49(55)65-51(69-53)59-15-16-60-52-66-50(56)68-54(70-52)64-42-20(2)40(22(4)48(24(42)6)90(84,85)86)62-30-18-32(88(78,79)80)38(58)36-34(30)44(72)26-12-8-10-14-28(26)46(36)74;;;;/h7-14,17-18,61-62H,15-16,57-58H2,1-6H3,(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,59,63,65,67,69)(H2,60,64,66,68,70);;;;/q;4*+1/p-4": [
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        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-fluoro-s-triazin-2-yl]amino]ethylamino]-6-fluoro-s-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-diketo-anthracene-2-sulfonate",
        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate",
        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate",
        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",
        "tetrasodium;1-azanyl-4-[[3-[[4-[2-[[4-[[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate"
      ],
      "attested_by": {
        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-fluoro-s-triazin-2-yl]amino]ethylamino]-6-fluoro-s-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-diketo-anthracene-2-sulfonate": [
          "enrich_references.pubchem_semantic"
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        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate": [
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        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate": [
          "enrich_references.pubchem_semantic"
        ],
        "tetrasodium;1-amino-4-[3-[[4-[2-[[4-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-6-fluoro-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate": [
          "enrich_references.pubchem_semantic"
        ],
        "tetrasodium;1-azanyl-4-[[3-[[4-[2-[[4-[[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-fluoranyl-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate": [
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      },
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Tetrasodium-1,2-bis(4-fluoro-6-[5-(1-amino-2-sulfonatoanthrachinon-4-ylamino)-2,4,6-trimethyl-3-sulfonatophenylamino]-1,3,5-triazin-2-ylamino)ethane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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