[[(2-acetamidophenyl)methyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(2-acetamidophenyl)methyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(2-acetamidophenyl)methyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(2-acetamidophenyl)methyl-(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(2-acetamidophenyl)methyl-(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(2-acetamidobenzyl)-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Formula: C11H20N2O13P4 MolecularWeight: 512.177144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1CN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1CN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H20N2O13P4/c1-7(14)12-9-5-3-2-4-8(9)6-13(10(27(15,16)17)28(18,19)20)11(29(21,22)23)30(24,25)26/h2-5,10-11H,6H2,1H3,(H,12,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)