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

Systemtic Name: [(4-butyl-1,3-thiazol-2-yl)-phosphono-methyl]phosphonic acid Openeye Name: [(4-butylthiazol-2-yl)-phosphono-methyl]phosphonic acid CAS Name: [(4-butyl-2-thiazolyl)-phosphonomethyl]phosphonic acid IUPAC Name: [(4-butyl-1,3-thiazol-2-yl)-phosphonomethyl]phosphonic acid Traditional Name: [(4-butylthiazol-2-yl)-phosphono-methyl]phosphonic acid Formula: C8H15NO6P2S MolecularWeight: 315.220322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CSC(=N1)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC1=CSC(=N1)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H15NO6P2S/c1-2-3-4-6-5-18-7(9-6)8(16(10,11)12)17(13,14)15/h5,8H,2-4H2,1H3,(H2,10,11,12)(H2,13,14,15)