[[bis(triphosphonomethyl)amino]-diphosphono-methyl]phosphonic acid; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: [[bis(triphosphonomethyl)amino]-diphosphono-methyl]phosphonic acid; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: [[bis(triphosphonomethyl)amino]-diphosphono-methyl]phosphonic acid; (1-hydroxy-1-phosphono-ethyl)phosphonic acid CAS Name: [[bis(triphosphonomethyl)amino]-diphosphonomethyl]phosphonic acid; (1-hydroxy-1-phosphonoethyl)phosphonic acid IUPAC Name: [[bis(triphosphonomethyl)amino]-diphosphonomethyl]phosphonic acid; (1-hydroxy-1-phosphonoethyl)phosphonic acid Traditional Name: [[bis(triphosphonomethyl)amino]-diphosphono-methyl]phosphonic acid; (1-hydroxy-1-phosphono-ethyl)phosphonic acid Formula: C5H26NO34P11 MolecularWeight: 984.957611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H18NO27P9.C2H8O7P2/c5-32(6,7)1(33(8,9)10,34(11,12)13)4(2(35(14,15)16,36(17,18)19)37(20,21)22)3(38(23,24)25,39(26,27)28)40(29,30)31;1-2(3,10(4,5)6)11(7,8)9/h(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31);3H,1H3,(H2,4,5,6)(H2,7,8,9)