(E)-but-2-enedioate; 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: (E)-but-2-enedioate; 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-(3-benzoylphenyl)propanoic acid; (E)-but-2-enedioate CAS Name: 2-(3-benzoylphenyl)propanoic acid; (E)-2-butenedioate IUPAC Name: 2-(3-benzoylphenyl)propanoic acid; (E)-but-2-enedioate Traditional Name: 2-(3-benzoylphenyl)propionic acid fumarate Formula: C20H16O7-2 MolecularWeight: 368.33684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H14O3.C4H4O4/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;5-3(6)1-2-4(7)8/h2-11H,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+