[1,6-bis(azanyl)-1,1,2-triphosphono-hexan-2-yl]phosphonic acid

Systemtic Name: [1,6-bis(azanyl)-1,1,2-triphosphono-hexan-2-yl]phosphonic acid Openeye Name: [5-amino-1-[amino(diphosphono)methyl]-1-phosphono-pentyl]phosphonic acid CAS Name: (1,6-diamino-1,1,2-triphosphonohexan-2-yl)phosphonic acid IUPAC Name: (1,6-diamino-1,1,2-triphosphonohexan-2-yl)phosphonic acid Traditional Name: [5-amino-1-[amino(diphosphono)methyl]-1-phosphono-pentyl]phosphonic acid Formula: C6H20N2O12P4 MolecularWeight: 436.124244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H20N2O12P4/c7-4-2-1-3-5(21(9,10)11,22(12,13)14)6(8,23(15,16)17)24(18,19)20/h1-4,7-8H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)