3-(2-oxidanyl-2-phenyl-ethanoyl)phthalic acid

Systemtic Name: 3-(2-oxidanyl-2-phenyl-ethanoyl)phthalic acid Openeye Name: 3-(2-hydroxy-2-phenyl-acetyl)phthalic acid CAS Name: 3-(2-hydroxy-1-oxo-2-phenylethyl)phthalic acid IUPAC Name: 3-(2-hydroxy-2-phenylacetyl)phthalic acid Traditional Name: 3-mandeloylphthalic acid Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O6/c17-13(9-5-2-1-3-6-9)14(18)10-7-4-8-11(15(19)20)12(10)16(21)22/h1-8,13,17H,(H,19,20)(H,21,22)