(1-phenyl-2,2-diphosphono-ethyl)phosphonic acid

Systemtic Name: (1-phenyl-2,2-diphosphono-ethyl)phosphonic acid Openeye Name: (1-phenyl-2,2-diphosphono-ethyl)phosphonic acid CAS Name: (1-phenyl-2,2-diphosphonoethyl)phosphonic acid IUPAC Name: (1-phenyl-2,2-diphosphonoethyl)phosphonic acid Traditional Name: (1-phenyl-2,2-diphosphono-ethyl)phosphonic acid Formula: C8H13O9P3 MolecularWeight: 346.104703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13O9P3/c9-18(10,11)7(6-4-2-1-3-5-6)8(19(12,13)14)20(15,16)17/h1-5,7-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)