[[4-(diphosphonomethyl)piperazin-1-yl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-(diphosphonomethyl)piperazin-1-yl]-phosphono-methyl]phosphonic acid Openeye Name: [[4-(diphosphonomethyl)piperazin-1-yl]-phosphono-methyl]phosphonic acid CAS Name: [[4-(diphosphonomethyl)-1-piperazinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-(diphosphonomethyl)piperazin-1-yl]-phosphonomethyl]phosphonic acid Traditional Name: [[4-(diphosphonomethyl)piperazino]-phosphono-methyl]phosphonic acid Formula: C6H18N2O12P4 MolecularWeight: 434.108364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CN(CCN1C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H18N2O12P4/c9-21(10,11)5(22(12,13)14)7-1-2-8(4-3-7)6(23(15,16)17)24(18,19)20/h5-6H,1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)