1-methyl-6-phosphono-2,3-dihydropyridine-6-sulfonic acid

Systemtic Name: 1-methyl-6-phosphono-2,3-dihydropyridine-6-sulfonic acid Openeye Name: 1-methyl-6-phosphono-2,3-dihydropyridine-6-sulfonic acid CAS Name: 1-methyl-6-phosphono-2,3-dihydropyridine-6-sulfonic acid IUPAC Name: 1-methyl-6-phosphono-2,3-dihydropyridine-6-sulfonic acid Traditional Name: 1-methyl-6-phosphono-2,3-dihydropyridine-6-sulfonic acid Formula: C6H12NO6PS MolecularWeight: 257.201341

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=CC1(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CN1CCC=CC1(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C6H12NO6PS/c1-7-5-3-2-4-6(7,14(8,9)10)15(11,12)13/h2,4H,3,5H2,1H3,(H2,8,9,10)(H,11,12,13)