(phenylmethyl) 5,5-dimethyl-3-oxidanyl-4-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 5,5-dimethyl-3-oxidanyl-4-oxidanylidene-hexanoate Openeye Name: benzyl 3-hydroxy-5,5-dimethyl-4-oxo-hexanoate CAS Name: 3-hydroxy-5,5-dimethyl-4-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-5,5-dimethyl-4-oxohexanoate Traditional Name: 3-hydroxy-4-keto-5,5-dimethyl-hexanoic acid benzyl ester Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)C(=O)C(CC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C15H20O4/c1-15(2,3)14(18)12(16)9-13(17)19-10-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3