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

Systemtic Name: [phosphono-[(5-propyl-1,3-thiazol-2-yl)amino]methyl]phosphonic acid Openeye Name: [phosphono-[(5-propylthiazol-2-yl)amino]methyl]phosphonic acid CAS Name: [phosphono-[(5-propyl-2-thiazolyl)amino]methyl]phosphonic acid IUPAC Name: [phosphono-[(5-propyl-1,3-thiazol-2-yl)amino]methyl]phosphonic acid Traditional Name: [phosphono-[(5-propylthiazol-2-yl)amino]methyl]phosphonic acid Formula: C7H14N2O6P2S MolecularWeight: 316.208382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(S1)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC1=CN=C(S1)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H14N2O6P2S/c1-2-3-5-4-8-6(18-5)9-7(16(10,11)12)17(13,14)15/h4,7H,2-3H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)