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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-iodanylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-2-sulfonate Openeye Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-iodoanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[(E)-2-cyano-3-(3-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(=CC=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(=CC=C4)I

InChI

InChI=1S/C26H17IN2O4S/c27-22-6-3-7-23(16-22)29-26(30)21(17-28)14-18-8-11-24(12-9-18)33-34(31,32)25-13-10-19-4-1-2-5-20(19)15-25/h1-16H,(H,29,30)/b21-14+