[(E)-3-(4-chlorophenyl)-2-iodanyl-3-oxidanylidene-1-phenyl-prop-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-3-(4-chlorophenyl)-2-iodanyl-3-oxidanylidene-1-phenyl-prop-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-3-(4-chlorophenyl)-2-iodo-3-oxo-1-phenyl-prop-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-3-(4-chlorophenyl)-2-iodo-3-oxo-1-phenylprop-1-enyl] ester IUPAC Name: [(E)-3-(4-chlorophenyl)-2-iodo-3-oxo-1-phenylprop-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-3-(4-chlorophenyl)-2-iodo-3-keto-1-phenyl-prop-1-enyl] ester Formula: C22H16ClIO4S MolecularWeight: 538.78251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=C(C(=O)C2=CC=C(C=C2)Cl)I)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C(\C(=O)C2=CC=C(C=C2)Cl)/I)/C3=CC=CC=C3

InChI

InChI=1S/C22H16ClIO4S/c1-15-7-13-19(14-8-15)29(26,27)28-22(17-5-3-2-4-6-17)20(24)21(25)16-9-11-18(23)12-10-16/h2-14H,1H3/b22-20+