diethyl (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C20H24O8 MolecularWeight: 392.39976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H]([C@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24O8/c1-4-25-18(22)16-12(21)9-20(3,24)17(19(23)26-5-2)15(16)11-6-7-13-14(8-11)28-10-27-13/h6-8,15-17,24H,4-5,9-10H2,1-3H3/t15-,16-,17+,20+/m1/s1