[2-methoxy-4-[(E)-3-(2-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-(2-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-(o-tolyl)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(o-tolyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H22O5S MolecularWeight: 422.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=CC=C3C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=CC=C3C)OC

InChI

InChI=1S/C24H22O5S/c1-17-8-12-20(13-9-17)30(26,27)29-23-15-11-19(16-24(23)28-3)10-14-22(25)21-7-5-4-6-18(21)2/h4-16H,1-3H3/b14-10+