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

Systemtic Name: propyl 3-(1,3-benzodioxol-5-yl)-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O6/c1-4-7-25-19(24)9-14(13-5-6-17-18(8-13)27-12-26-17)20-15(22)10-21(2,3)11-16(20)23/h5-6,8,14,22H,4,7,9-12H2,1-3H3