[2-(2-methyl-1,3-thiazol-4-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(2-methyl-1,3-thiazol-4-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(2-methylthiazol-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(2-methyl-4-thiazolyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(2-methyl-1,3-thiazol-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(2-methylthiazol-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C6H11NO6P2S MolecularWeight: 287.167162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC(=CS1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H11NO6P2S/c1-4-7-5(3-16-4)2-6(14(8,9)10)15(11,12)13/h3,6H,2H2,1H3,(H2,8,9,10)(H2,11,12,13)