[2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C20H26O6 MolecularWeight: 362.41684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C(C)C

InChI

InChI=1S/C20H26O6/c1-12(2)15-6-4-13(3)8-17(15)26-19(21)10-23-20(22)14-5-7-16-18(9-14)25-11-24-16/h5,7,9,12-13,15,17H,4,6,8,10-11H2,1-3H3/t13-,15+,17-/m0/s1