5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic Acid, Sodium Salt /n/n

2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:?)
2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	XWPJKMFRMGRVEU-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string	InChI=1S/C29H23N3O17S5.4Na/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48;;;;/h1-9,12-15,33H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name	tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]azo]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]azo]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-hydroxy-3-[[6-(2-sulfatoethylsulfonyl)-1-sulfonato-2-naphthyl]azo]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-oxidanyl-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate, tetrasodium;N-[8-oxidanidyl-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthalenyl]azo]-1-naphthalenyl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthyl]azo]-1-naphthyl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfoxyethylsulfonyl)-2-naphthyl]azo]-1-naphthyl]benzenecarboximidate
Molecular formula chemrof:molecular_formula	C29H19N3Na4O17S5
Molecular mass chemrof:molecular_mass	933.77
Monoisotopic mass chemrof:monoisotopic_mass	932.890878
SMILES string chemrof:smiles_string	C1=CC=C(C=C1)C(=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3[O-])N=NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+], C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])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=85586-40-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.079.830	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID301358671	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/163483	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/170840479	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126600736	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d794a455-b9d2-436e-ae70-cad8bb4d1784	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9e632927-e32c-4ec2-8120-e00c84458f65	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
f42a8cd4-deab-4bd8-b35d-347827298835	Environmental → Air → Indoor	EF 3.1	kg	2
eb5beb05-b493-4ca7-b1ed-c51030706f25	Environmental → Air → Long-term	EF 3.1	kg	0
df0b9597-9cf1-43a4-aa01-0fc830376b7f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
5b4891ef-d1a2-48d5-b716-90be8741d5ab	Environmental → Air → Unknown	EF 3.1	kg	2
90ea3bc9-4cd4-4a69-96cb-e0ccd567f30d	Environmental → Ground → Agricultural	EF 3.1	kg	2
42076952-fb0e-437c-bdec-d4b4026a22a2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fa902112-ecb1-46b6-ab47-5fe720e3304c	Environmental → Ground → Unknown	EF 3.1	kg	2
5e623a3c-a7b1-489b-849a-2ae9da3bedc0	Environmental → Water → Long-term	EF 3.1	kg	0
473b03e5-1d71-45f6-a8eb-a56d3cc08d4c	Environmental → Water → Ocean	EF 3.1	kg	2
3081625d-8d11-4340-bfe0-e7d3e3ebda85	Environmental → Water → Surface water	EF 3.1	kg	2
a09a864a-f51d-4add-a85e-53f27fce3185	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic Acid, Sodium Salt /n/n

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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