2-[2-(4-methylphenyl)ethyl]-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-[2-(4-methylphenyl)ethyl]-2,4-diphosphono-pentanedioic acid Openeye Name: 2,4-diphosphono-2-[2-(p-tolyl)ethyl]pentanedioic acid CAS Name: 2-[2-(4-methylphenyl)ethyl]-2,4-diphosphonopentanedioic acid IUPAC Name: 2-[2-(4-methylphenyl)ethyl]-2,4-diphosphonopentanedioic acid Traditional Name: 2,4-diphosphono-2-[2-(p-tolyl)ethyl]glutaric acid Formula: C14H20O10P2 MolecularWeight: 410.250122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C14H20O10P2/c1-9-2-4-10(5-3-9)6-7-14(13(17)18,26(22,23)24)8-11(12(15)16)25(19,20)21/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)