(1-oxidanyl-1-phosphono-ethyl)phosphonic acid; (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid

Systemtic Name: (1-oxidanyl-1-phosphono-ethyl)phosphonic acid; (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid Openeye Name: (1-hydroxy-1-phosphono-ethyl)phosphonic acid; [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid CAS Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid; [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid; (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid Traditional Name: (1-hydroxy-1-phosphono-ethyl)phosphonic acid; [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid Formula: C9H19NO14P4 MolecularWeight: 489.140504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(O)(P(=O)(O)O)P(=O)(O)O.C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(O)(P(=O)(O)O)P(=O)(O)O.C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11NO7P2.C2H8O7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;1-2(3,10(4,5)6)11(7,8)9/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);3H,1H3,(H2,4,5,6)(H2,7,8,9)