4-[3-cyano-3-[[2-cyano-4-(4-sulfophenyl)butan-2-yl]diazenyl]butyl]benzenesulfonic acid

Systemtic Name: 4-[3-cyano-3-[[2-cyano-4-(4-sulfophenyl)butan-2-yl]diazenyl]butyl]benzenesulfonic acid Openeye Name: 4-[3-cyano-3-[1-cyano-1-methyl-3-(4-sulfophenyl)propyl]azo-butyl]benzenesulfonic acid CAS Name: 4-[3-cyano-3-[2-cyano-4-(4-sulfophenyl)butan-2-yl]azobutyl]benzenesulfonic acid IUPAC Name: 4-[3-cyano-3-[[2-cyano-4-(4-sulfophenyl)butan-2-yl]diazenyl]butyl]benzenesulfonic acid Traditional Name: 4-[3-cyano-3-[1-cyano-1-methyl-3-(4-sulfophenyl)propyl]azo-butyl]besylic acid Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)S(=O)(=O)O)(C#N)N=NC(C)(CCC2=CC=C(C=C2)S(=O)(=O)O)C#N

Isomeric SMILES

CC(CCC1=CC=C(C=C1)S(=O)(=O)O)(C#N)N=NC(C)(CCC2=CC=C(C=C2)S(=O)(=O)O)C#N

InChI

InChI=1S/C22H24N4O6S2/c1-21(15-23,13-11-17-3-7-19(8-4-17)33(27,28)29)25-26-22(2,16-24)14-12-18-5-9-20(10-6-18)34(30,31)32/h3-10H,11-14H2,1-2H3,(H,27,28,29)(H,30,31,32)