[4-(4,5-dimethyl-1,3-oxazol-2-yl)-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4,5-dimethyl-1,3-oxazol-2-yl)-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4,5-dimethyloxazol-2-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-(4,5-dimethyl-2-oxazolyl)-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4,5-dimethyl-1,3-oxazol-2-yl)-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(4,5-dimethyloxazol-2-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C9H17NO8P2 MolecularWeight: 329.180702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)CCCC(O)(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=C(OC(=N1)CCCC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C9H17NO8P2/c1-6-7(2)18-8(10-6)4-3-5-9(11,19(12,13)14)20(15,16)17/h11H,3-5H2,1-2H3,(H2,12,13,14)(H2,15,16,17)