[5-(3-ethylsulfinylphenyl)-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] ethanoate

Systemtic Name: [5-(3-ethylsulfinylphenyl)-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] ethanoate Openeye Name: [5-(3-ethylsulfinylphenyl)-2-(o-tolyl)-3-oxo-cyclohexen-1-yl] acetate CAS Name: acetic acid [5-(3-ethylsulfinylphenyl)-2-(2-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(3-ethylsulfinylphenyl)-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] acetate Traditional Name: acetic acid [5-(3-ethylsulfinylphenyl)-3-keto-2-(o-tolyl)cyclohexen-1-yl] ester Formula: C23H24O4S MolecularWeight: 396.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC(=C1)C2CC(=C(C(=O)C2)C3=CC=CC=C3C)OC(=O)C

Isomeric SMILES

CCS(=O)C1=CC=CC(=C1)C2CC(=C(C(=O)C2)C3=CC=CC=C3C)OC(=O)C

InChI

InChI=1S/C23H24O4S/c1-4-28(26)19-10-7-9-17(12-19)18-13-21(25)23(22(14-18)27-16(3)24)20-11-6-5-8-15(20)2/h5-12,18H,4,13-14H2,1-3H3