2-methyl-2-sulfanyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-methyl-2-sulfanyl-isoindol-2-ium-1,3-dione Openeye Name: 2-methyl-2-sulfanyl-isoindolin-2-ium-1,3-dione CAS Name: 2-mercapto-2-methylisoindol-2-ium-1,3-dione IUPAC Name: 2-methyl-2-sulfanylisoindol-2-ium-1,3-dione Traditional Name: 2-mercapto-2-methyl-isoindolin-2-ium-1,3-quinone Formula: C9H8NO2S+ MolecularWeight: 194.23032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C2=CC=CC=C2C1=O)S

Isomeric SMILES

C[N+]1(C(=O)C2=CC=CC=C2C1=O)S

InChI

InChI=1S/C9H8NO2S/c1-10(13)8(11)6-4-2-3-5-7(6)9(10)12/h2-5,13H,1H3/q+1