2-phosphonobutanedioic acid; 2-phosphonobutane-1,2,4-tricarboxylic acid

Systemtic Name: 2-phosphonobutanedioic acid; 2-phosphonobutane-1,2,4-tricarboxylic acid Openeye Name: 2-phosphonobutanedioic acid; 2-phosphonobutane-1,2,4-tricarboxylic acid CAS Name: 2-phosphonobutanedioic acid; 2-phosphonobutane-1,2,4-tricarboxylic acid IUPAC Name: 2-phosphonobutanedioic acid; 2-phosphonobutane-1,2,4-tricarboxylic acid Traditional Name: 2-phosphonobutane-1,2,4-tricarboxylic acid; 2-phosphonosuccinic acid Formula: C11H18O16P2 MolecularWeight: 468.198542

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O.C(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O.C(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C7H11O9P.C4H7O7P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;5-3(6)1-2(4(7)8)12(9,10)11/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);2H,1H2,(H,5,6)(H,7,8)(H2,9,10,11)