[(3aR,4R,7aR)-2,2-dimethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] benzoate

Systemtic Name: [(3aR,4R,7aR)-2,2-dimethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] benzoate Openeye Name: [(3aR,4R,7aR)-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] benzoate CAS Name: benzoic acid [(3aR,4R,7aR)-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aR,4R,7aR)-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] benzoate Traditional Name: benzoic acid [(3aR,4R,7aR)-7-keto-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl] ester Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C=CC(=O)C2O1)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(O[C@@H]2[C@@H](C=CC(=O)[C@@H]2O1)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C16H16O5/c1-16(2)20-13-11(17)8-9-12(14(13)21-16)19-15(18)10-6-4-3-5-7-10/h3-9,12-14H,1-2H3/t12-,13+,14-/m1/s1