2-[(3,4-dichlorophenyl)methyl]-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)methyl]-2,4-diphosphono-pentanedioic acid Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-2,4-diphosphono-pentanedioic acid CAS Name: 2-[(3,4-dichlorophenyl)methyl]-2,4-diphosphonopentanedioic acid IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-2,4-diphosphonopentanedioic acid Traditional Name: 2-(3,4-dichlorobenzyl)-2,4-diphosphono-glutaric acid Formula: C12H14Cl2O10P2 MolecularWeight: 451.087082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)Cl)Cl

InChI

InChI=1S/C12H14Cl2O10P2/c13-7-2-1-6(3-8(7)14)4-12(11(17)18,26(22,23)24)5-9(10(15)16)25(19,20)21/h1-3,9H,4-5H2,(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)