[(1R,2S,3S)-2-methoxy-3-(3-methylbut-2-enoxymethyl)-4-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1R,2S,3S)-2-methoxy-3-(3-methylbut-2-enoxymethyl)-4-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1R,2S,3S)-2-methoxy-3-(3-methylbut-2-enoxymethyl)-4-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2S,3S)-2-methoxy-3-(3-methylbut-2-enoxymethyl)-4-oxocyclohexyl] ester IUPAC Name: [(1R,2S,3S)-2-methoxy-3-(3-methylbut-2-enoxymethyl)-4-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2S,3S)-4-keto-2-methoxy-3-(3-methylbut-2-enoxymethyl)cyclohexyl] ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOCC1C(C(CCC1=O)OC(=O)C2=CC=CC=C2)OC)C

Isomeric SMILES

CC(=CCOC[C@H]1[C@@H]([C@@H](CCC1=O)OC(=O)C2=CC=CC=C2)OC)C

InChI

InChI=1S/C20H26O5/c1-14(2)11-12-24-13-16-17(21)9-10-18(19(16)23-3)25-20(22)15-7-5-4-6-8-15/h4-8,11,16,18-19H,9-10,12-13H2,1-3H3/t16-,18-,19+/m1/s1