methyl 4-methyl-4-oxidanyl-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: methyl 4-methyl-4-oxidanyl-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: methyl 4-hydroxy-4-methyl-5-oxo-5-phenyl-pentanoate CAS Name: 4-hydroxy-4-methyl-5-oxo-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 4-hydroxy-4-methyl-5-oxo-5-phenylpentanoate Traditional Name: 4-hydroxy-5-keto-4-methyl-5-phenyl-valeric acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-13(16,9-8-11(14)17-2)12(15)10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3