3-(2-methyl-[1]benzothiolo[3,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfinate

Systemtic Name: 3-(2-methyl-[1]benzothiolo[3,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfinate Openeye Name: 3-(2-methylbenzothiopheno[3,2-d]thiazol-1-ium-1-yl)propane-1-sulfinate CAS Name: 3-(2-methyl-[1]benzothiolo[3,2-d]thiazol-1-ium-1-yl)-1-propanesulfinate IUPAC Name: 3-(2-methyl-[1]benzothiolo[3,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfinate Traditional Name: 3-(2-methylbenzothiopheno[3,2-d]thiazol-1-ium-1-yl)propane-1-sulfinate Formula: C13H13NO2S3 MolecularWeight: 311.44282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)SC3=CC=CC=C32)CCCS(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)SC3=CC=CC=C32)CCCS(=O)[O-]

InChI

InChI=1S/C13H13NO2S3/c1-9-14(7-4-8-19(15)16)12-10-5-2-3-6-11(10)18-13(12)17-9/h2-3,5-6H,4,7-8H2,1H3