[(2S,4R,5S)-10-methyl-8-oxidanylidene-2-prop-1-en-2-yl-spiro[4.5]dec-9-en-4-yl] benzoate

Systemtic Name: [(2S,4R,5S)-10-methyl-8-oxidanylidene-2-prop-1-en-2-yl-spiro[4.5]dec-9-en-4-yl] benzoate Openeye Name: [(2S,4R,5S)-2-isopropenyl-10-methyl-8-oxo-spiro[4.5]dec-9-en-4-yl] benzoate CAS Name: benzoic acid [(2S,4R,5S)-10-methyl-2-(1-methylethenyl)-8-oxo-4-spiro[4.5]dec-9-enyl] ester IUPAC Name: [(2S,4R,5S)-10-methyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] benzoate Traditional Name: benzoic acid [(2S,4R,5S)-2-isopropenyl-8-keto-10-methyl-spiro[4.5]dec-9-en-4-yl] ester Formula: C21H24O3 MolecularWeight: 324.41346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CCC12CC(CC2OC(=O)C3=CC=CC=C3)C(=C)C

Isomeric SMILES

CC1=CC(=O)CC[C@]12C[C@@H](C[C@H]2OC(=O)C3=CC=CC=C3)C(=C)C

InChI

InChI=1S/C21H24O3/c1-14(2)17-12-19(24-20(23)16-7-5-4-6-8-16)21(13-17)10-9-18(22)11-15(21)3/h4-8,11,17,19H,1,9-10,12-13H2,2-3H3/t17-,19-,21+/m1/s1