[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2-ethylsulfanylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C25H28O3S MolecularWeight: 408.55302

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC2=C(C(=O)CC(C2)(C)C)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OC2=C(C(=O)CC(C2)(C)C)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C25H28O3S/c1-6-29-22-10-8-7-9-19(22)24(27)28-21-15-25(4,5)14-20(26)23(21)18-12-11-16(2)13-17(18)3/h7-13H,6,14-15H2,1-5H3