[[diphosphonomethyl-(phenylmethyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[diphosphonomethyl-(phenylmethyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[benzyl(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[diphosphonomethyl-(phenylmethyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[benzyl(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[benzyl(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Formula: C9H17NO12P4 MolecularWeight: 455.125824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO12P4/c11-23(12,13)8(24(14,15)16)10(6-7-4-2-1-3-5-7)9(25(17,18)19)26(20,21)22/h1-5,8-9H,6H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)