2-(2,2-diphosphonoethyl)-2-phosphono-butanedioic acid

Systemtic Name: 2-(2,2-diphosphonoethyl)-2-phosphono-butanedioic acid Openeye Name: 2-(2,2-diphosphonoethyl)-2-phosphono-butanedioic acid CAS Name: 2-(2,2-diphosphonoethyl)-2-phosphonobutanedioic acid IUPAC Name: 2-(2,2-diphosphonoethyl)-2-phosphonobutanedioic acid Traditional Name: 2-(2,2-diphosphonoethyl)-2-phosphono-succinic acid Formula: C6H13O13P3 MolecularWeight: 386.080903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O13P3/c7-3(8)1-6(5(9)10,22(17,18)19)2-4(20(11,12)13)21(14,15)16/h4H,1-2H2,(H,7,8)(H,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)