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

Systemtic Name: [4-[2-cyano-3-[(4-iodophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [4-[2-cyano-3-(4-iodoanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[2-cyano-3-(4-iodoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(4-iodoanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[2-cyano-3-(4-iodoanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H17IN2O4S MolecularWeight: 580.39365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C26H17IN2O4S/c27-22-8-10-23(11-9-22)29-26(30)21(17-28)15-18-5-12-24(13-6-18)33-34(31,32)25-14-7-19-3-1-2-4-20(19)16-25/h1-16H,(H,29,30)