[3-(3-methyl-1,2-oxazol-4-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(3-methyl-1,2-oxazol-4-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(3-methylisoxazol-4-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(3-methyl-4-isoxazolyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(3-methyl-1,2-oxazol-4-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(3-methylisoxazol-4-yl)-1-phosphono-propyl]phosphonic acid Formula: C7H13NO8P2 MolecularWeight: 301.127542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC=C1CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NOC=C1CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H13NO8P2/c1-5-6(4-16-8-5)2-3-7(9,17(10,11)12)18(13,14)15/h4,9H,2-3H2,1H3,(H2,10,11,12)(H2,13,14,15)