[[(2-methyl-3,3-diphosphono-propyl)amino]-(7-methyloctoxy)-phosphono-methyl]phosphonic acid

Systemtic Name: [[(2-methyl-3,3-diphosphono-propyl)amino]-(7-methyloctoxy)-phosphono-methyl]phosphonic acid Openeye Name: [[(2-methyl-3,3-diphosphono-propyl)amino]-(7-methyloctoxy)-phosphono-methyl]phosphonic acid CAS Name: [[(2-methyl-3,3-diphosphonopropyl)amino]-(7-methyloctoxy)-phosphonomethyl]phosphonic acid IUPAC Name: [[(2-methyl-3,3-diphosphonopropyl)amino]-(7-methyloctoxy)-phosphonomethyl]phosphonic acid Traditional Name: [[(2-methyl-3,3-diphosphono-propyl)amino]-(7-methyloctoxy)-phosphono-methyl]phosphonic acid Formula: C14H35NO13P4 MolecularWeight: 549.321644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(NCC(C)C(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CCCCCCOC(NCC(C)C(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H35NO13P4/c1-11(2)8-6-4-5-7-9-28-14(31(22,23)24,32(25,26)27)15-10-12(3)13(29(16,17)18)30(19,20)21/h11-13,15H,4-10H2,1-3H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)