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

Systemtic Name: 2-(phenylmethyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-benzyl-2,4-diphosphono-pentanedioic acid CAS Name: 2-(phenylmethyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-benzyl-2,4-diphosphonopentanedioic acid Traditional Name: 2-benzyl-2,4-diphosphono-glutaric acid Formula: C12H16O10P2 MolecularWeight: 382.196962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O10P2/c13-10(14)9(23(17,18)19)7-12(11(15)16,24(20,21)22)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)