(2S,3R,6R)-3,6-dimethyl-3-nitro-1,2-dihydropyridine-2,6-disulfonic acid

Systemtic Name: (2S,3R,6R)-3,6-dimethyl-3-nitro-1,2-dihydropyridine-2,6-disulfonic acid Openeye Name: (2S,3R,6R)-3,6-dimethyl-3-nitro-1,2-dihydropyridine-2,6-disulfonic acid CAS Name: (2S,3R,6R)-3,6-dimethyl-3-nitro-1,2-dihydropyridine-2,6-disulfonic acid IUPAC Name: (2S,3R,6R)-3,6-dimethyl-3-nitro-1,2-dihydropyridine-2,6-disulfonic acid Traditional Name: (2S,3R,6R)-3,6-dimethyl-3-nitro-1,2-dihydropyridine-2,6-disulfonic acid Formula: C7H12N2O8S2 MolecularWeight: 316.30878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(NC1S(=O)(=O)O)(C)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(C=C[C@@](N[C@H]1S(=O)(=O)O)(C)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H12N2O8S2/c1-6(9(10)11)3-4-7(2,19(15,16)17)8-5(6)18(12,13)14/h3-5,8H,1-2H3,(H,12,13,14)(H,15,16,17)/t5-,6+,7+/m0/s1