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

Systemtic Name: [(3aR,5S,7aS)-6-methyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-3H-1-benzofuran-5-yl] benzoate Openeye Name: [(3aR,5S,7aS)-6-methyl-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-5-yl] benzoate CAS Name: benzoic acid [(3aR,5S,7aS)-6-methyl-2-oxo-3a,4,5,7a-tetrahydro-3H-benzofuran-5-yl] ester IUPAC Name: [(3aR,5S,7aS)-6-methyl-2-oxo-3a,4,5,7a-tetrahydro-3H-1-benzofuran-5-yl] benzoate Traditional Name: benzoic acid [(3aR,5S,7aS)-2-keto-6-methyl-3a,4,5,7a-tetrahydro-3H-benzofuran-5-yl] ester Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(CC1OC(=O)C3=CC=CC=C3)CC(=O)O2

Isomeric SMILES

CC1=C[C@@H]2[C@H](C[C@@H]1OC(=O)C3=CC=CC=C3)CC(=O)O2

InChI

InChI=1S/C16H16O4/c1-10-7-14-12(9-15(17)19-14)8-13(10)20-16(18)11-5-3-2-4-6-11/h2-7,12-14H,8-9H2,1H3/t12-,13+,14-/m1/s1