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

Systemtic Name: 3-(2-methyl-[1]benzothiolo[3,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2-methylbenzothiopheno[3,2-d]thiazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(2-methyl-[1]benzothiolo[3,2-d]thiazol-1-ium-1-yl)-1-propanesulfonate IUPAC Name: 3-(2-methyl-[1]benzothiolo[3,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(2-methylbenzothiopheno[3,2-d]thiazol-1-ium-1-yl)propane-1-sulfonate Formula: C13H13NO3S3 MolecularWeight: 327.44222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S3/c1-9-14(7-4-8-20(15,16)17)12-10-5-2-3-6-11(10)19-13(12)18-9/h2-3,5-6H,4,7-8H2,1H3