2-Amino-4-[[4-(cyanoamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]benzenesulfonic acid

156291-01-9

CAS Name

2-Amino-4-[[4-(cyanoamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]benzenesulfonic acid

Molecular Formula

C₂₄H₂₂N₁₀O₁₂S₄

Molecular Mass

770.75

Other Names and Identifiers

InChI

InChI=1S/C24H22N10O12S4/c25-13-27-22-30-23(28-15-2-1-3-17(10-15)48(37,38)39)32-24(31-22)29-19-11-18(26)21(49(40,41)42)12-20(19)34-33-14-4-6-16(7-5-14)47(35,36)9-8-46-50(43,44)45/h1-7,10-12H,8-9,26H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,27,28,29,30,31,32)

InChIKey

InChIKey=BTBFSBATLPAYTD-UHFFFAOYSA-N

SMILES

N(=NC1=CC=C(S(CCOS(=O)(=O)O)(=O)=O)C=C1)C2=C(NC=3N=C(NC4=CC(S(=O)(=O)O)=CC=C4)N=C(NC#N)N3)C=C(N)C(S(=O)(=O)O)=C2

Canonical SMILES

N#CNC=1N=C(N=C(N1)NC=2C=C(N)C(=CC2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)NC4=CC=CC(=C4)S(=O)(=O)O

Other Names for this Substance