[(1S,2S,3S,4S)-3-acetyloxy-2,4-dimethyl-5-oxidanylidene-cycloheptyl] benzoate

Systemtic Name: [(1S,2S,3S,4S)-3-acetyloxy-2,4-dimethyl-5-oxidanylidene-cycloheptyl] benzoate Openeye Name: [(1S,2S,3S,4S)-3-acetoxy-2,4-dimethyl-5-oxo-cycloheptyl] benzoate CAS Name: benzoic acid [(1S,2S,3S,4S)-3-acetyloxy-2,4-dimethyl-5-oxocycloheptyl] ester IUPAC Name: [(1S,2S,3S,4S)-3-acetyloxy-2,4-dimethyl-5-oxocycloheptyl] benzoate Traditional Name: benzoic acid [(1S,2S,3S,4S)-3-acetoxy-5-keto-2,4-dimethyl-cycloheptyl] ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(=O)C(C1OC(=O)C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](CCC(=O)[C@H]([C@H]1OC(=O)C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22O5/c1-11-15(20)9-10-16(12(2)17(11)22-13(3)19)23-18(21)14-7-5-4-6-8-14/h4-8,11-12,16-17H,9-10H2,1-3H3/t11-,12+,16+,17-/m1/s1