4-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)butyl 2-methylbutanoate

Systemtic Name: 4-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)butyl 2-methylbutanoate Openeye Name: 4-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)butyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 4-(5,5-dimethyl-3-oxo-1-cyclohexenyl)butyl ester IUPAC Name: 4-(5,5-dimethyl-3-oxocyclohexen-1-yl)butyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 4-(3-keto-5,5-dimethyl-cyclohexen-1-yl)butyl ester Formula: C17H28O3 MolecularWeight: 280.40242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCCC1=CC(=O)CC(C1)(C)C

Isomeric SMILES

CCC(C)C(=O)OCCCCC1=CC(=O)CC(C1)(C)C

InChI

InChI=1S/C17H28O3/c1-5-13(2)16(19)20-9-7-6-8-14-10-15(18)12-17(3,4)11-14/h10,13H,5-9,11-12H2,1-4H3