4-[[2,4-bis(azanyl)-5-methyl-3-phenyldiazenyl-phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-5-methyl-3-phenyldiazenyl-phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-(2,4-diamino-5-methyl-3-phenylazo-phenyl)azobenzenesulfonic acid CAS Name: 4-(2,4-diamino-5-methyl-3-phenyldiazenylphenyl)azobenzenesulfonic acid IUPAC Name: 4-[(2,4-diamino-5-methyl-3-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid Traditional Name: 4-(2,4-diamino-5-methyl-3-phenylazo-phenyl)azobesylic acid Formula: C19H18N6O3S MolecularWeight: 410.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)N=NC2=CC=CC=C2)N)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)N=NC2=CC=CC=C2)N)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H18N6O3S/c1-12-11-16(24-22-14-7-9-15(10-8-14)29(26,27)28)18(21)19(17(12)20)25-23-13-5-3-2-4-6-13/h2-11H,20-21H2,1H3,(H,26,27,28)