[[(2-methyl-3,3-diphosphono-propyl)amino]-octoxy-phosphono-methyl]phosphonic acid

Systemtic Name: [[(2-methyl-3,3-diphosphono-propyl)amino]-octoxy-phosphono-methyl]phosphonic acid Openeye Name: [[(2-methyl-3,3-diphosphono-propyl)amino]-octoxy-phosphono-methyl]phosphonic acid CAS Name: [[(2-methyl-3,3-diphosphonopropyl)amino]-octoxy-phosphonomethyl]phosphonic acid IUPAC Name: [[(2-methyl-3,3-diphosphonopropyl)amino]-octoxy-phosphonomethyl]phosphonic acid Traditional Name: [[(2-methyl-3,3-diphosphono-propyl)amino]-octoxy-phosphono-methyl]phosphonic acid Formula: C13H33NO13P4 MolecularWeight: 535.295064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(NCC(C)C(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCOC(NCC(C)C(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H33NO13P4/c1-3-4-5-6-7-8-9-27-13(30(21,22)23,31(24,25)26)14-10-11(2)12(28(15,16)17)29(18,19)20/h11-12,14H,3-10H2,1-2H3,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)