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

Systemtic Name: [[(5-hexyl-1,2-oxazol-3-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(5-hexylisoxazol-3-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(5-hexyl-3-isoxazolyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(5-hexyl-1,2-oxazol-3-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(5-hexylisoxazol-3-yl)amino]-phosphono-methyl]phosphonic acid Formula: C10H20N2O7P2 MolecularWeight: 342.222522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=NO1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCC1=CC(=NO1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H20N2O7P2/c1-2-3-4-5-6-8-7-9(12-19-8)11-10(20(13,14)15)21(16,17)18/h7,10H,2-6H2,1H3,(H,11,12)(H2,13,14,15)(H2,16,17,18)