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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(N(CCN1C(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(CCN(N(CCN1C(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)11-1-2-12(8(41(21,22)23)42(24,25)26)4-6-14(10(45(33,34)35)46(36,37)38)13(5-3-11)9(43(27,28)29)44(30,31)32/h7-10H,1-6H2,(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)