[3-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate

Systemtic Name: [3-[(E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [3-[(E)-2-cyano-3-(4-methylanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [3-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(4-methylanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [3-[(E)-2-cyano-3-keto-3-(p-toluidino)prop-1-enyl]phenyl] ester Formula: C27H20N2O4S MolecularWeight: 468.5237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)/C#N

InChI

InChI=1S/C27H20N2O4S/c1-19-9-12-24(13-10-19)29-27(30)23(18-28)15-20-5-4-8-25(16-20)33-34(31,32)26-14-11-21-6-2-3-7-22(21)17-26/h2-17H,1H3,(H,29,30)/b23-15+