[(3aR,4S,6R,6aS)-6-(2-methoxy-2-oxidanylidene-ethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] benzoate

Systemtic Name: [(3aR,4S,6R,6aS)-6-(2-methoxy-2-oxidanylidene-ethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] benzoate Openeye Name: [(3aR,4S,6R,6aS)-6-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] benzoate CAS Name: benzoic acid [(3aR,4S,6R,6aS)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] ester IUPAC Name: [(3aR,4S,6R,6aS)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] benzoate Traditional Name: benzoic acid [(3aR,4S,6R,6aS)-6-(2-keto-2-methoxy-ethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl] ester Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6/c1-18(2)23-15-12(10-14(19)21-3)9-13(16(15)24-18)22-17(20)11-7-5-4-6-8-11/h4-8,12-13,15-16H,9-10H2,1-3H3/t12-,13+,15+,16-/m1/s1