methyl 4-methyl-3-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: methyl 4-methyl-3-oxidanylidene-5-phenyl-pentanoate Openeye Name: methyl 4-methyl-3-oxo-5-phenyl-pentanoate CAS Name: 4-methyl-3-oxo-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 4-methyl-3-oxo-5-phenylpentanoate Traditional Name: 3-keto-4-methyl-5-phenyl-valeric acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(=O)CC(=O)OC

Isomeric SMILES

CC(CC1=CC=CC=C1)C(=O)CC(=O)OC

InChI

InChI=1S/C13H16O3/c1-10(12(14)9-13(15)16-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3