[(3aS)-3a-methyl-6-oxidanylidene-2,3,4,5-tetrahydro-1H-inden-2-yl] benzoate

Systemtic Name: [(3aS)-3a-methyl-6-oxidanylidene-2,3,4,5-tetrahydro-1H-inden-2-yl] benzoate Openeye Name: [(3aS)-3a-methyl-6-oxo-2,3,4,5-tetrahydro-1H-inden-2-yl] benzoate CAS Name: benzoic acid [(3aS)-3a-methyl-6-oxo-2,3,4,5-tetrahydro-1H-inden-2-yl] ester IUPAC Name: [(3aS)-3a-methyl-6-oxo-2,3,4,5-tetrahydro-1H-inden-2-yl] benzoate Traditional Name: benzoic acid [(3aS)-6-keto-3a-methyl-2,3,4,5-tetrahydro-1H-inden-2-yl] ester Formula: C17H18O3 MolecularWeight: 270.32302

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CC(C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@]12CCC(=O)C=C1CC(C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18O3/c1-17-8-7-14(18)9-13(17)10-15(11-17)20-16(19)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10-11H2,1H3/t15?,17-/m0/s1