[(2S,4aR)-4a-methyl-7-oxidanylidene-1,2,3,4,5,6-hexahydronaphthalen-2-yl] benzoate

Systemtic Name: [(2S,4aR)-4a-methyl-7-oxidanylidene-1,2,3,4,5,6-hexahydronaphthalen-2-yl] benzoate Openeye Name: [(2S,4aR)-4a-methyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl] benzoate CAS Name: benzoic acid [(2S,4aR)-4a-methyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl] ester IUPAC Name: [(2S,4aR)-4a-methyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl] benzoate Traditional Name: benzoic acid [(2S,4aR)-7-keto-4a-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl] ester Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CC(=O)CC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@]12CC[C@@H](CC1=CC(=O)CC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20O3/c1-18-9-7-15(19)11-14(18)12-16(8-10-18)21-17(20)13-5-3-2-4-6-13/h2-6,11,16H,7-10,12H2,1H3/t16-,18-/m0/s1