potassium 2-(2-methyl-6-nitro-4-oxidanyl-2,3-dihydrothiochromen-4-yl)ethanoate

Systemtic Name: potassium 2-(2-methyl-6-nitro-4-oxidanyl-2,3-dihydrothiochromen-4-yl)ethanoate Openeye Name: potassium 2-(4-hydroxy-2-methyl-6-nitro-thiochroman-4-yl)acetate CAS Name: potassium 2-(4-hydroxy-2-methyl-6-nitro-2,3-dihydro-1-benzothiopyran-4-yl)acetate IUPAC Name: potassium 2-(4-hydroxy-2-methyl-6-nitro-2,3-dihydrothiochromen-4-yl)acetate Traditional Name: potassium 2-(4-hydroxy-2-methyl-6-nitro-thiochroman-4-yl)acetate Formula: C12H12KNO5S MolecularWeight: 321.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(S1)C=CC(=C2)[N+](=O)[O-])(CC(=O)[O-])O.[K+]

Isomeric SMILES

CC1CC(C2=C(S1)C=CC(=C2)[N+](=O)[O-])(CC(=O)[O-])O.[K+]

InChI

InChI=1S/C12H13NO5S.K/c1-7-5-12(16,6-11(14)15)9-4-8(13(17)18)2-3-10(9)19-7;/h2-4,7,16H,5-6H2,1H3,(H,14,15);/q;+1/p-1