(3-methyl-5-phosphono-4H-1,2-oxazol-5-yl)phosphonic acid

Systemtic Name: (3-methyl-5-phosphono-4H-1,2-oxazol-5-yl)phosphonic acid Openeye Name: (3-methyl-5-phosphono-4H-isoxazol-5-yl)phosphonic acid CAS Name: (3-methyl-5-phosphono-4H-isoxazol-5-yl)phosphonic acid IUPAC Name: (3-methyl-5-phosphono-4H-1,2-oxazol-5-yl)phosphonic acid Traditional Name: (3-methyl-5-phosphono-2-isoxazolin-5-yl)phosphonic acid Formula: C4H9NO7P2 MolecularWeight: 245.064282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NOC(C1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H9NO7P2/c1-3-2-4(12-5-3,13(6,7)8)14(9,10)11/h2H2,1H3,(H2,6,7,8)(H2,9,10,11)