3-[[2-ethanoyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)phenyl]methyl]benzoic acid

Systemtic Name: 3-[[2-ethanoyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)phenyl]methyl]benzoic acid Openeye Name: 3-[[2-acetyl-3-(3-hydroxy-3-oxo-propanoyl)phenyl]methyl]benzoic acid CAS Name: 3-[[2-acetyl-3-(3-hydroxy-1,3-dioxopropyl)phenyl]methyl]benzoic acid IUPAC Name: 3-[[2-acetyl-3-(3-hydroxy-3-oxopropanoyl)phenyl]methyl]benzoic acid Traditional Name: 3-[2-acetyl-3-(3-hydroxy-3-keto-propanoyl)benzyl]benzoic acid Formula: C19H16O6 MolecularWeight: 340.32674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1CC2=CC=CC(=C2)C(=O)O)C(=O)CC(=O)O

Isomeric SMILES

CC(=O)C1=C(C=CC=C1CC2=CC=CC(=C2)C(=O)O)C(=O)CC(=O)O

InChI

InChI=1S/C19H16O6/c1-11(20)18-13(5-3-7-15(18)16(21)10-17(22)23)8-12-4-2-6-14(9-12)19(24)25/h2-7,9H,8,10H2,1H3,(H,22,23)(H,24,25)