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Reference substances

Currently viewing:
IUPAC name:
disodium 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

Inventory

EC number:
237-600-9
EC name:
Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
CAS number:
13863-31-5
CAS number:
13863-31-5
Synonyms
Names:
Identifier:
IUPAC name
Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-,sodium salt (1:2)
Identifier:
IUPAC name
Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
Identifier:
other: Molecular formula
C38H40N12O8S2.2Na

Molecular and structural information

Molecular formula:
C38H40N12Na2O8S2
Molecular weight:
ca. 901
SMILES notation:
c1(c(\C=C\c2c(cc(Nc3nc(nc(n3)Nc3ccccc3)N(CCO)C)cc2)S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Nc1ccccc1)N(CCO)C)S(=O)(=O)[O-].[Na+].[Na+]
InChl:
1S/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2/b14-13+;;
Structural formula:
Chemical structure

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