[[1,2-bis[bis(diphosphonomethyl)amino]propylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[1,2-bis[bis(diphosphonomethyl)amino]propylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[1,2-bis[bis(diphosphonomethyl)amino]propylamino]-phosphono-methyl]phosphonic acid CAS Name: [[1,2-bis[bis(diphosphonomethyl)amino]propylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[1,2-bis[bis(diphosphonomethyl)amino]propylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[1,2-bis[bis(diphosphonomethyl)amino]propylamino]-phosphono-methyl]phosphonic acid Formula: C8H31N3O30P10 MolecularWeight: 959.07145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H31N3O30P10/c1-2(10(5(44(18,19)20)45(21,22)23)6(46(24,25)26)47(27,28)29)3(9-4(42(12,13)14)43(15,16)17)11(7(48(30,31)32)49(33,34)35)8(50(36,37)38)51(39,40)41/h2-9H,1H3,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41)