dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxo-cyclohexane-1,1-dicarboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-oxocyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxocyclohexane-1,1-dicarboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C17H18O7 MolecularWeight: 334.32062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)CC1C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CCC(=O)CC1C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C17H18O7/c1-21-15(19)17(16(20)22-2)6-5-11(18)8-12(17)10-3-4-13-14(7-10)24-9-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3