calcium 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: calcium 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: calcium 2-(3-benzoylphenyl)propanoic acid CAS Name: calcium 2-(3-benzoylphenyl)propanoic acid IUPAC Name: calcium 2-(3-benzoylphenyl)propanoic acid Traditional Name: calcium 2-(3-benzoylphenyl)propionic acid Formula: C16H14CaO3+2 MolecularWeight: 294.35856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O.[Ca+2]

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O.[Ca+2]

InChI

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