2-oxidanylpropane-1,2,3-tricarboxylate; 2-[2-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2-[2-(phenylcarbonyl)phenyl]propanoate Openeye Name: 2-(2-benzoylphenyl)propanoate citrate CAS Name: 2-(2-benzoylphenyl)propanoate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(2-benzoylphenyl)propanoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(2-benzoylphenyl)propionate citrate Formula: C22H18O10-4 MolecularWeight: 442.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H14O3.C6H8O7/c1-11(16(18)19)13-9-5-6-10-14(13)15(17)12-7-3-2-4-8-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-11H,1H3,(H,18,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4