[(3aS,4R,6aR)-2,2-dimethyl-5-oxidanylidene-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methyl benzoate

Systemtic Name: [(3aS,4R,6aR)-2,2-dimethyl-5-oxidanylidene-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methyl benzoate Openeye Name: [(3aS,4R,6aR)-2,2-dimethyl-5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methyl benzoate CAS Name: benzoic acid [(3aS,4R,6aR)-2,2-dimethyl-5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methyl ester IUPAC Name: [(3aS,4R,6aR)-2,2-dimethyl-5-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methyl benzoate Traditional Name: benzoic acid [(3aS,4R,6aR)-5-keto-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methyl ester Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CS(=O)C(C2O1)COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-15(2)19-11-9-21(17)12(13(11)20-15)8-18-14(16)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12+,13-,21?/m0/s1