[[2-(2-chloroethyloxy)ethyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[2-(2-chloroethyloxy)ethyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[2-(2-chloroethoxy)ethyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[2-(2-chloroethoxy)ethyl-(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[2-(2-chloroethoxy)ethyl-(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[2-(2-chloroethoxy)ethyl-(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Formula: C6H18ClNO13P4 MolecularWeight: 471.554064

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Descriptors Computed from Structure

Canonical SMILES:

C(COCCCl)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(COCCCl)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H18ClNO13P4/c7-1-3-21-4-2-8(5(22(9,10)11)23(12,13)14)6(24(15,16)17)25(18,19)20/h5-6H,1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)