(5,5-dimethyl-4-oxidanylidene-hexan-3-yl) benzoate

Systemtic Name: (5,5-dimethyl-4-oxidanylidene-hexan-3-yl) benzoate Openeye Name: (1-ethyl-3,3-dimethyl-2-oxo-butyl) benzoate CAS Name: benzoic acid (5,5-dimethyl-4-oxohexan-3-yl) ester IUPAC Name: (5,5-dimethyl-4-oxohexan-3-yl) benzoate Traditional Name: benzoic acid (1-ethyl-2-keto-3,3-dimethyl-butyl) ester Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3/c1-5-12(13(16)15(2,3)4)18-14(17)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3