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

Systemtic Name: [[(5-pentyl-1,2-oxazol-3-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(5-pentylisoxazol-3-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(5-pentyl-3-isoxazolyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(5-pentyl-1,2-oxazol-3-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(5-amylisoxazol-3-yl)amino]-phosphono-methyl]phosphonic acid Formula: C9H18N2O7P2 MolecularWeight: 328.195942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=NO1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCC1=CC(=NO1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H18N2O7P2/c1-2-3-4-5-7-6-8(11-18-7)10-9(19(12,13)14)20(15,16)17/h6,9H,2-5H2,1H3,(H,10,11)(H2,12,13,14)(H2,15,16,17)