[4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]phenyl] ester Formula: C22H17ClO4S MolecularWeight: 412.88598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClO4S/c1-16-2-7-18(8-3-16)22(24)15-6-17-4-11-20(12-5-17)27-28(25,26)21-13-9-19(23)10-14-21/h2-15H,1H3/b15-6+