2-(4-carboxyphenyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(4-carboxyphenyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(4-carboxyphenyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(4-carboxyphenyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(4-carboxyphenyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(4-carboxyphenyl)-2,4-diphosphono-glutaric acid Formula: C12H14O12P2 MolecularWeight: 412.179882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H14O12P2/c13-9(14)6-1-3-7(4-2-6)12(11(17)18,26(22,23)24)5-8(10(15)16)25(19,20)21/h1-4,8H,5H2,(H,13,14)(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)