[(1R,5S,6S,7S)-6-acetyloxy-5,7-dimethyl-4-oxidanylidene-cyclohept-2-en-1-yl] benzoate

Systemtic Name: [(1R,5S,6S,7S)-6-acetyloxy-5,7-dimethyl-4-oxidanylidene-cyclohept-2-en-1-yl] benzoate Openeye Name: [(1R,5S,6S,7S)-6-acetoxy-5,7-dimethyl-4-oxo-cyclohept-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S,6S,7S)-6-acetyloxy-5,7-dimethyl-4-oxo-1-cyclohept-2-enyl] ester IUPAC Name: [(1R,5S,6S,7S)-6-acetyloxy-5,7-dimethyl-4-oxocyclohept-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S,6S,7S)-6-acetoxy-4-keto-5,7-dimethyl-cyclohept-2-en-1-yl] ester Formula: C18H20O5 MolecularWeight: 316.3484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5/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/h4-12,16-17H,1-3H3/t11-,12+,16-,17-/m1/s1