2-phenethyl-2,4-diphosphono-pentanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O10P2/c14-11(15)10(24(18,19)20)8-13(12(16)17,25(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)