5-methyl-3-oxidanylidene-2-(phenylmethyl)hexanoate

Systemtic Name: 5-methyl-3-oxidanylidene-2-(phenylmethyl)hexanoate Openeye Name: 2-benzyl-5-methyl-3-oxo-hexanoate CAS Name: 5-methyl-3-oxo-2-(phenylmethyl)hexanoate IUPAC Name: 2-benzyl-5-methyl-3-oxohexanoate Traditional Name: 2-benzyl-3-keto-5-methyl-hexanoate Formula: C14H17O3- MolecularWeight: 233.28298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)C(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C14H18O3/c1-10(2)8-13(15)12(14(16)17)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,17)/p-1