[[1-[bis(diphosphonomethyl)amino]propan-2-ylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[1-[bis(diphosphonomethyl)amino]propan-2-ylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[[2-[bis(diphosphonomethyl)amino]-1-methyl-ethyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[1-[bis(diphosphonomethyl)amino]propan-2-ylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[1-[bis(diphosphonomethyl)amino]propan-2-ylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[[2-[bis(diphosphonomethyl)amino]-1-methyl-ethyl]amino]-phosphono-methyl]phosphonic acid Formula: C6H22N2O18P6 MolecularWeight: 596.084046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H22N2O18P6/c1-3(7-4(27(9,10)11)28(12,13)14)2-8(5(29(15,16)17)30(18,19)20)6(31(21,22)23)32(24,25)26/h3-7H,2H2,1H3,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)