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Reference substances

Reference substances

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General information

Inventory

EC number:
224-548-7
EC name:
4,4'-bis[4-[bis(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid
CAS number:
4404-43-7

No inventory information available

Reference substance information

IUPAC name:
2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]

CAS information

CAS number:
4404-43-7

Molecular and structural information

Molecular formula:
C40H44N12O10S2
Molecular weight:
916.994
SMILES notation:
c1(nc(Nc2cc(c(\C=C\c3c(cc(Nc4nc(N(CCO)CCO)nc(n4)Nc4ccccc4)cc3)S(O)(=O)=O)cc2)S(O)(=O)=O)nc(n1)Nc1ccccc1)N(CCO)CCO
InChl:
1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b12-11+
Structural formula:
Chemical structure