[(1S,8aS)-6-oxidanylidene-8a-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-1-yl] benzoate

Systemtic Name: [(1S,8aS)-6-oxidanylidene-8a-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-1-yl] benzoate Openeye Name: [(1S,8aS)-8a-allyl-6-oxo-1,2,3,4-tetrahydronaphthalen-1-yl] benzoate CAS Name: benzoic acid [(1S,8aS)-6-oxo-8a-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-1-yl] ester IUPAC Name: [(1S,8aS)-6-oxo-8a-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-1-yl] benzoate Traditional Name: benzoic acid [(1S,8aS)-8a-allyl-6-keto-1,2,3,4-tetrahydronaphthalen-1-yl] ester Formula: C20H20O3 MolecularWeight: 308.371

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC12C=CC(=O)C=C1CCCC2OC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CC[C@]12C=CC(=O)C=C1CCC[C@@H]2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O3/c1-2-12-20-13-11-17(21)14-16(20)9-6-10-18(20)23-19(22)15-7-4-3-5-8-15/h2-5,7-8,11,13-14,18H,1,6,9-10,12H2/t18-,20-/m0/s1