[3-[[2-ethylhexoxy(diphosphono)methyl]amino]-2-methyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[[2-ethylhexoxy(diphosphono)methyl]amino]-2-methyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[[2-ethylhexoxy(diphosphono)methyl]amino]-2-methyl-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[2-ethylhexoxy(diphosphono)methyl]amino]-2-methyl-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[[2-ethylhexoxy(diphosphono)methyl]amino]-2-methyl-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[[2-ethylhexoxy(diphosphono)methyl]amino]-2-methyl-1-phosphono-propyl]phosphonic acid Formula: C13H33NO13P4 MolecularWeight: 535.295064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(NCC(C)C(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CC)COC(NCC(C)C(P(=O)(O)O)P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H33NO13P4/c1-4-6-7-11(5-2)9-27-13(30(21,22)23,31(24,25)26)14-8-10(3)12(28(15,16)17)29(18,19)20/h10-12,14H,4-9H2,1-3H3,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)