2-oxidanylpropane-1,2,3-tricarboxylate; 2-phenylpropanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2-phenylpropanoate Openeye Name: 2-phenylpropanoate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-phenylpropanoate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2-phenylpropanoate Traditional Name: 2-phenylpropionate citrate Formula: C15H14O9-4 MolecularWeight: 338.26626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C6H8O7/c1-7(9(10)11)8-5-3-2-4-6-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7H,1H3,(H,10,11);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4