4,5-bis(oxidanylidene)-3-(phenylmethyl)hexanoic acid

Systemtic Name: 4,5-bis(oxidanylidene)-3-(phenylmethyl)hexanoic acid Openeye Name: 3-benzyl-4,5-dioxo-hexanoic acid CAS Name: 4,5-dioxo-3-(phenylmethyl)hexanoic acid IUPAC Name: 3-benzyl-4,5-dioxohexanoic acid Traditional Name: 3-benzyl-4,5-diketo-hexanoic acid Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-9(14)13(17)11(8-12(15)16)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,16)