methyl 1-[[6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-1,3-benzodioxol-5-yl]methyl]-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[6-[(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-1,3-benzodioxol-5-yl]methyl]-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 1-[[6-[(E)-4-methoxy-4-oxo-but-2-enyl]-1,3-benzodioxol-5-yl]methyl]-4-oxo-cyclohexanecarboxylate CAS Name: 1-[[6-[(E)-4-methoxy-4-oxobut-2-enyl]-1,3-benzodioxol-5-yl]methyl]-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[6-[(E)-4-methoxy-4-oxobut-2-enyl]-1,3-benzodioxol-5-yl]methyl]-4-oxocyclohexane-1-carboxylate Traditional Name: 4-keto-1-[[6-[(E)-4-keto-4-methoxy-but-2-enyl]-1,3-benzodioxol-5-yl]methyl]cyclohexanecarboxylic acid methyl ester Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1=CC2=C(C=C1CC3(CCC(=O)CC3)C(=O)OC)OCO2

Isomeric SMILES

COC(=O)/C=C/CC1=CC2=C(C=C1CC3(CCC(=O)CC3)C(=O)OC)OCO2

InChI

InChI=1S/C21H24O7/c1-25-19(23)5-3-4-14-10-17-18(28-13-27-17)11-15(14)12-21(20(24)26-2)8-6-16(22)7-9-21/h3,5,10-11H,4,6-9,12-13H2,1-2H3/b5-3+