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

Systemtic Name: [[butyl-(5-methyl-1,3-thiazol-2-yl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[butyl-(5-methylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[butyl-(5-methyl-2-thiazolyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[butyl-(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[butyl-(5-methylthiazol-2-yl)amino]-phosphono-methyl]phosphonic acid Formula: C9H18N2O6P2S MolecularWeight: 344.261542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC=C(S1)C)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCN(C1=NC=C(S1)C)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H18N2O6P2S/c1-3-4-5-11(8-10-6-7(2)20-8)9(18(12,13)14)19(15,16)17/h6,9H,3-5H2,1-2H3,(H2,12,13,14)(H2,15,16,17)