2-oxidanyl-4-oxidanylidene-2-phenethyl-pentanoic acid

Systemtic Name: 2-oxidanyl-4-oxidanylidene-2-phenethyl-pentanoic acid Openeye Name: 2-hydroxy-4-oxo-2-phenethyl-pentanoic acid CAS Name: 2-hydroxy-4-oxo-2-phenethylpentanoic acid IUPAC Name: 2-hydroxy-4-oxo-2-phenethylpentanoic acid Traditional Name: 2-hydroxy-4-keto-2-phenethyl-valeric acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCC1=CC=CC=C1)(C(=O)O)O

Isomeric SMILES

CC(=O)CC(CCC1=CC=CC=C1)(C(=O)O)O

InChI

InChI=1S/C13H16O4/c1-10(14)9-13(17,12(15)16)8-7-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,16)