[[1,6-bis[bis(diphosphonomethyl)amino]hexylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[1,6-bis[bis(diphosphonomethyl)amino]hexylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[1,6-bis[bis(diphosphonomethyl)amino]hexylamino]-phosphono-methyl]phosphonic acid CAS Name: [[1,6-bis[bis(diphosphonomethyl)amino]hexylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[1,6-bis[bis(diphosphonomethyl)amino]hexylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[1,6-bis[bis(diphosphonomethyl)amino]hexylamino]-phosphono-methyl]phosphonic acid Formula: C11H37N3O30P10 MolecularWeight: 1001.15119

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(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)CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCC(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)CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H37N3O30P10/c15-45(16,17)7(46(18,19)20)12-6(14(10(51(33,34)35)52(36,37)38)11(53(39,40)41)54(42,43)44)4-2-1-3-5-13(8(47(21,22)23)48(24,25)26)9(49(27,28)29)50(30,31)32/h6-12H,1-5H2,(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)(H2,42,43,44)