3-methyl-4-[(4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-methyl-4-[(4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-carboxylic acid Openeye Name: 3-methyl-4-(4-methyl-2-sulfo-phenyl)azo-naphthalene-2-carboxylic acid CAS Name: 3-methyl-4-(4-methyl-2-sulfophenyl)azo-2-naphthalenecarboxylic acid IUPAC Name: 3-methyl-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid Traditional Name: 3-methyl-4-(4-methyl-2-sulfo-phenyl)azo-2-naphthoic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)C)S(=O)(=O)O

InChI

InChI=1S/C19H16N2O5S/c1-11-7-8-16(17(9-11)27(24,25)26)20-21-18-12(2)15(19(22)23)10-13-5-3-4-6-14(13)18/h3-10H,1-2H3,(H,22,23)(H,24,25,26)