[[(5-octyl-1,2-oxazol-3-yl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(5-octyl-1,2-oxazol-3-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(5-octylisoxazol-3-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(5-octyl-3-isoxazolyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(5-octyl-1,2-oxazol-3-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(5-octylisoxazol-3-yl)amino]-phosphono-methyl]phosphonic acid Formula: C12H24N2O7P2 MolecularWeight: 370.275682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=NO1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCC1=CC(=NO1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H24N2O7P2/c1-2-3-4-5-6-7-8-10-9-11(14-21-10)13-12(22(15,16)17)23(18,19)20/h9,12H,2-8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)