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

Systemtic Name: [[2-chloroethyl(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[2-chloroethyl(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[2-chloroethyl(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[2-chloroethyl(diphosphonomethyl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[2-chloroethyl(diphosphonomethyl)amino]-phosphono-methyl]phosphonic acid Formula: C4H14ClNO12P4 MolecularWeight: 427.501504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCl)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CCl)N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H14ClNO12P4/c5-1-2-6(3(19(7,8)9)20(10,11)12)4(21(13,14)15)22(16,17)18/h3-4H,1-2H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)