[(3aR,4R,6R,7aR)-2,2-dimethyl-6-oxidanyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate

Systemtic Name: [(3aR,4R,6R,7aR)-2,2-dimethyl-6-oxidanyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate Openeye Name: [(3aR,4R,6R,7aR)-6-hydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate CAS Name: benzoic acid [(3aR,4R,6R,7aR)-6-hydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aR,4R,6R,7aR)-6-hydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] benzoate Traditional Name: benzoic acid [(3aR,4R,6R,7aR)-6-hydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(CC(C2O1)OC(=O)C3=CC=CC=C3)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5/c1-16(2)20-13-9-11(17)8-12(14(13)21-16)19-15(18)10-6-4-3-5-7-10/h3-7,11-14,17H,8-9H2,1-2H3/t11-,12+,13+,14-/m0/s1