5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic Acid, Sodium Salt

2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?)
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ZRXRACPUMHCGPL-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string	InChI=1S/C27H22ClN7O16S5.4Na/c28-25-31-26(29-16-2-1-3-18(12-16)53(39,40)41)33-27(32-25)30-20-13-19(54(42,43)44)10-14-11-21(55(45,46)47)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)52(37,38)9-8-51-56(48,49)50;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name	5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic Acid, Sodium Salt
Molecular formula chemrof:molecular_formula	C27H18ClN7Na4O16S5
Molecular mass chemrof:molecular_mass	984.222
Monoisotopic mass chemrof:monoisotopic_mass	982.869287
SMILES string chemrof:smiles_string	O=S(=O)([O-])OCCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)[O-])c5)n4)c3c2O)cc1.[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=78952-61-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.071.810	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/84VM7N1390	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.508.727G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/166507	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126600788	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q135189406	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27269549	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
588e8acb-2cf5-40eb-a3b3-97c9b005982a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
505cc345-910b-4b42-89fc-11b26d44db7c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
86dbc79e-b387-4263-8595-762d1141a338	Environmental → Air → Indoor	EF 3.1	kg	4
10bed3f6-183a-4b8d-9a14-30b9e32de859	Environmental → Air → Long-term	EF 3.1	kg	0
4713d7ad-7f5a-48ef-9ebd-80efebcb3a88	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
9184890f-0833-4826-b779-cd5fc197bf80	Environmental → Air → Unknown	EF 3.1	kg	4
e7595b23-4897-4cc1-97c5-05a741b89879	Environmental → Ground → Agricultural	EF 3.1	kg	4
418501ec-816b-4a3c-a560-952c9e250607	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
ac879515-4b3b-4149-b215-ca1642e9d2ea	Environmental → Ground → Unknown	EF 3.1	kg	4
927731c8-f07c-44c1-bd4b-b1050ca12b6b	Environmental → Water → Long-term	EF 3.1	kg	0
7922ce44-0bac-4892-9df3-6aae0882e8bc	Environmental → Water → Ocean	EF 3.1	kg	4
9100ddcc-0ef1-4704-88fe-8cd8f3741ebf	Environmental → Water → Surface water	EF 3.1	kg	4
247625f3-efd2-4956-a8db-94e721b24a35	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic Acid, Sodium Salt

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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