Disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred Name)

2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BLKMUAVUOHCFQJ-CALJPSDSSA-N, KXZDXBWYWMOFCR-YHPRVSEPSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name	2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-, disodium salt
Molecular formula chemrof:molecular_formula	C42H44N14Na2O10S2, C42H46N14NaO10S2
SMILES string chemrof:smiles_string	NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(CCO)CCC(N)=O)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)n1.[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=27344-06-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.044.004	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60889696	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/30I2S866LK	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/156593809	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/161565	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/172640837	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6440980	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126609200	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27255955	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d5c0c150-bfff-4153-a4b5-314abe051496	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
79b955dc-d161-4a92-af16-63d9cf1e1b13	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
917feef2-0d39-4a98-adb9-9dfc42d73a15	Environmental → Air → Indoor	EF 3.1	kg	4
2858f5a8-84a7-4bc8-bf34-99b1cdf36351	Environmental → Air → Long-term	EF 3.1	kg	0
d560355f-641f-44e5-a782-d676c2eead57	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
2dd51353-c5d7-470e-8d91-d5f6fe1a2a50	Environmental → Air → Unknown	EF 3.1	kg	4
ea20adb2-5201-4fd8-b669-dd6c47c61a9c	Environmental → Ground → Agricultural	EF 3.1	kg	4
a749bc2b-7a90-41a6-afd0-2646d241bcc8	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
30a788a5-832b-4f88-b514-154c7713016f	Environmental → Ground → Unknown	EF 3.1	kg	4
02957cb8-5931-4c51-8f29-a275f3d30121	Environmental → Water → Long-term	EF 3.1	kg	0
12e20fc6-72c3-4c35-af75-4aa8464a8b00	Environmental → Water → Ocean	EF 3.1	kg	4
4b2cd115-f0d4-448c-a202-fcb8e261a1d8	Environmental → Water → Surface water	EF 3.1	kg	4
6ebcb097-82fa-4427-bf6f-5cd064165a6d	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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Disodium 2,2'-ethene-1,2-diylbis[5-({4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl}amino)benzenesulfonate] (non-preferred Name)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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