ethyl 3-(1,3-benzodioxol-5-yl)-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)propionic acid ethyl ester Formula: C20H24O6 MolecularWeight: 360.40096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)C3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)C3=C(CC(CC3=O)(C)C)O

InChI

InChI=1S/C20H24O6/c1-4-24-18(23)8-13(12-5-6-16-17(7-12)26-11-25-16)19-14(21)9-20(2,3)10-15(19)22/h5-7,13,21H,4,8-11H2,1-3H3