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

Systemtic Name: 2-(4-dimethylaminophenyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(4-dimethylaminophenyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(4-dimethylaminophenyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(4-dimethylaminophenyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(4-dimethylaminophenyl)-2,4-diphosphono-glutaric acid Formula: C13H19NO10P2 MolecularWeight: 411.238182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO10P2/c1-14(2)9-5-3-8(4-6-9)13(12(17)18,26(22,23)24)7-10(11(15)16)25(19,20)21/h3-6,10H,7H2,1-2H3,(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)