Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-[bis(2-hydroxypropyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NTHKAJBKFNFLHL-WPYDVODASA-J
InChI2D string chemrof:inchi2d_string	InChI=1S/C44H52N12O16S4.4Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4
IUPAC name chemrof:IUPAC_name	Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Molecular formula chemrof:molecular_formula	C44H48N12Na4O16S4
Molecular mass chemrof:molecular_mass	1221.164
Monoisotopic mass chemrof:monoisotopic_mass	1220.178485
SMILES string chemrof:smiles_string	CC(O)CN(CC(C)O)c1nc(Nc2ccc(S(=O)(=O)[O-])cc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccc(S(=O)(=O)[O-])cc5)nc(N(CC(C)O)CC(C)O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[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=67786-25-8	enrich_references.consensus_cas_link
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=99549-42-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.060.979	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.116.664	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0029397	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1IQ37U7KFJ	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/106796	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6437255	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81984019	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5adbced5-f146-4bf5-83c7-b284823f00f8	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
39f11c22-0456-48e2-8da1-c5e52fa143ba	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
9a5002fa-5e00-430b-835a-9f1f9ea784b7	Environmental → Air → Indoor	EF 3.1	kg	4
46ddca90-430b-4d4a-8841-81c4ded93d5f	Environmental → Air → Long-term	EF 3.1	kg	0
c926e191-9a5d-442e-90b4-0c5e5ff00b75	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
978aad2d-f682-4ba6-a4a8-56808db59aba	Environmental → Air → Unknown	EF 3.1	kg	4
8e21c6f2-4a4a-46b0-b626-c284c8cd586e	Environmental → Ground → Agricultural	EF 3.1	kg	4
901b5988-0a17-4c29-bec3-90ae2bb3d4c7	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
85146733-8516-4581-a9ff-25fee59fbc25	Environmental → Ground → Unknown	EF 3.1	kg	4
c4cf4e5c-1c4d-4ce7-9668-e6506f0784c2	Environmental → Water → Long-term	EF 3.1	kg	0
d8d3518f-7637-4a11-b58d-08cb6079fc4b	Environmental → Water → Ocean	EF 3.1	kg	4
0059e39b-cc85-4097-bf59-33bdce55aa6e	Environmental → Water → Surface water	EF 3.1	kg	4
d515a226-e4db-4654-9cbf-7115fadf1aed	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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Tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

Identity

Structure

Alternative labels

Properties

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