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

Systemtic Name: [2-methoxy-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H22O7S MolecularWeight: 454.49228

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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(=C(C=C3)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22O7S/c1-16-4-9-19(10-5-16)32(27,28)31-22-13-7-17(14-24(22)30-3)6-11-20(25)18-8-12-21(26)23(15-18)29-2/h4-15,26H,1-3H3/b11-6+