benzene-1,2,4-tricarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: benzene-1,2,4-tricarboxylate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: benzene-1,2,4-tricarboxylate citrate CAS Name: benzene-1,2,4-tricarboxylate; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: benzene-1,2,4-tricarboxylate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylate citrate Formula: C15H8O13-6 MolecularWeight: 396.21622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.C6H8O7/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3H,(H,10,11)(H,12,13)(H,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-6