[4-(phosphonomethyl)piperazin-1-yl]methylphosphonic acid

Systemtic Name: [4-(phosphonomethyl)piperazin-1-yl]methylphosphonic acid Openeye Name: [4-(phosphonomethyl)piperazin-1-yl]methylphosphonic acid CAS Name: [4-(phosphonomethyl)-1-piperazinyl]methylphosphonic acid IUPAC Name: [4-(phosphonomethyl)piperazin-1-yl]methylphosphonic acid Traditional Name: [4-(phosphonomethyl)piperazino]methylphosphonic acid Formula: C6H16N2O6P2 MolecularWeight: 274.148562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CN(CCN1CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C6H16N2O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-6H2,(H2,9,10,11)(H2,12,13,14)