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

Systemtic Name: [[(5-butyl-1,3-thiazol-2-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[(5-butylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(5-butyl-2-thiazolyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[(5-butyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[(5-butylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid Formula: C8H16N2O6P2S MolecularWeight: 330.234962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(S1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1=CN=C(S1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H16N2O6P2S/c1-2-3-4-6-5-9-7(19-6)10-8(17(11,12)13)18(14,15)16/h5,8H,2-4H2,1H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)