[phosphono-[1,2,5-tris(diphosphonomethyl)-1,2,5,7-tetrazecan-8-yl]methyl]phosphonic acid

Systemtic Name: [phosphono-[1,2,5-tris(diphosphonomethyl)-1,2,5,7-tetrazecan-8-yl]methyl]phosphonic acid Openeye Name: [phosphono-[1,2,5-tris(diphosphonomethyl)-1,2,5,7-tetrazecan-8-yl]methyl]phosphonic acid CAS Name: [phosphono-[1,2,5-tris(diphosphonomethyl)-1,2,5,7-tetrazecan-8-yl]methyl]phosphonic acid IUPAC Name: [phosphono-[1,2,5-tris(diphosphonomethyl)-1,2,5,7-tetrazecan-8-yl]methyl]phosphonic acid Traditional Name: [phosphono-[1,2,5-tris(diphosphonomethyl)-1,2,5,7-tetrazecan-8-yl]methyl]phosphonic acid Formula: C10H32N4O24P8 MolecularWeight: 840.163568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(CCN(CNC1C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CN(N(CCN(CNC1C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H32N4O24P8/c15-39(16,17)7(40(18,19)20)6-1-2-13(9(43(27,28)29)44(30,31)32)14(10(45(33,34)35)46(36,37)38)4-3-12(5-11-6)8(41(21,22)23)42(24,25)26/h6-11H,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)