Reactive Red F66813

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

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DSCQOECXSNCBQK-UHFFFAOYSA-J
InChI2D string chemrof:inchi2d_string	InChI=1S/C29H26ClN7O19S6.4Na/c30-27-33-28(31-17-1-5-19(6-2-17)57(39,40)11-9-55-61(49,50)51)35-29(34-27)32-22-15-21(59(43,44)45)13-16-14-23(60(46,47)48)25(26(38)24(16)22)37-36-18-3-7-20(8-4-18)58(41,42)12-10-56-62(52,53)54;;;;/h1-8,13-15,38H,9-12H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H2,31,32,33,34,35);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name	2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
Molecular formula chemrof:molecular_formula	C29H22ClN7Na4O19S6
Molecular mass chemrof:molecular_mass	1092.34
Monoisotopic mass chemrof:monoisotopic_mass	1090.857402
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(Nc5ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc5)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=111211-40-6	enrich_references.consensus_cas_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8073055	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/136086277	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
5d7dd3db-3b0a-4f0b-803d-7efedacfdbb3	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
3e33ce79-be7c-4c3b-90ec-7f628b6b1bf3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
210e3c44-06c9-4d63-82d3-28905e4c03d4	Environmental → Air → Indoor	EF 3.1	kg	4
985feb7d-3081-4923-8437-c564334a2380	Environmental → Air → Long-term	EF 3.1	kg	0
cee3dded-f415-4242-a747-1f364576bdad	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
b534e659-ca70-46f4-a118-5d6824c1baaf	Environmental → Air → Unknown	EF 3.1	kg	4
ff00586a-4f3e-4092-9dfd-4984f0827feb	Environmental → Ground → Agricultural	EF 3.1	kg	4
5606c97d-db8f-405f-808c-a34ba86a5ef9	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
763acced-92e9-4de1-9e3c-1a141f1a122f	Environmental → Ground → Unknown	EF 3.1	kg	4
ab1a0b24-3d20-4211-baf8-3a95d96404ea	Environmental → Water → Long-term	EF 3.1	kg	0
9d8b756c-b073-4595-9e67-60bbae95917d	Environmental → Water → Ocean	EF 3.1	kg	4
c1304af6-6d40-4711-b107-7b7d3a61f2fa	Environmental → Water → Surface water	EF 3.1	kg	4
53eec6d9-c40b-433a-a407-dd16d0120112	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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}

Reactive Red F66813

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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