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

Systemtic Name: 2-(2,4-dimethylphenyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(2,4-dimethylphenyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(2,4-dimethylphenyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(2,4-dimethylphenyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(2,4-dimethylphenyl)-2,4-diphosphono-glutaric acid Formula: C13H18O10P2 MolecularWeight: 396.223542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O10P2/c1-7-3-4-9(8(2)5-7)13(12(16)17,25(21,22)23)6-10(11(14)15)24(18,19)20/h3-5,10H,6H2,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)