[[diphosphonomethyl(octan-3-yl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[diphosphonomethyl(octan-3-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[diphosphonomethyl(1-ethylhexyl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[diphosphonomethyl(octan-3-yl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[diphosphonomethyl(octan-3-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[diphosphonomethyl(1-ethylhexyl)amino]-phosphono-methyl]phosphonic acid Formula: C10H27NO12P4 MolecularWeight: 477.215924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H27NO12P4/c1-3-5-6-7-8(4-2)11(9(24(12,13)14)25(15,16)17)10(26(18,19)20)27(21,22)23/h8-10H,3-7H2,1-2H3,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)