[(3S)-6-[3,3-dimethyl-2-(3-oxidanylidenebutyl)cyclohexen-1-yl]-3-methyl-heptyl] ethanoate

Systemtic Name: [(3S)-6-[3,3-dimethyl-2-(3-oxidanylidenebutyl)cyclohexen-1-yl]-3-methyl-heptyl] ethanoate Openeye Name: [(3S)-6-[3,3-dimethyl-2-(3-oxobutyl)cyclohexen-1-yl]-3-methyl-heptyl] acetate CAS Name: acetic acid [(3S)-6-[3,3-dimethyl-2-(3-oxobutyl)-1-cyclohexenyl]-3-methylheptyl] ester IUPAC Name: [(3S)-6-[3,3-dimethyl-2-(3-oxobutyl)cyclohexen-1-yl]-3-methylheptyl] acetate Traditional Name: acetic acid [(3S)-6-[2-(3-ketobutyl)-3,3-dimethyl-cyclohexen-1-yl]-3-methyl-heptyl] ester Formula: C22H38O3 MolecularWeight: 350.53532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)C1=C(C(CCC1)(C)C)CCC(=O)C)CCOC(=O)C

Isomeric SMILES

C[C@@H](CCC(C)C1=C(C(CCC1)(C)C)CCC(=O)C)CCOC(=O)C

InChI

InChI=1S/C22H38O3/c1-16(13-15-25-19(4)24)9-10-17(2)20-8-7-14-22(5,6)21(20)12-11-18(3)23/h16-17H,7-15H2,1-6H3/t16-,17?/m0/s1