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

Systemtic Name: butyl 3-(1,3-benzodioxol-5-yl)-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O6/c1-4-5-8-26-20(25)10-15(14-6-7-18-19(9-14)28-13-27-18)21-16(23)11-22(2,3)12-17(21)24/h6-7,9,15,23H,4-5,8,10-13H2,1-3H3