3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]propane-1-sulfonic acid Openeye Name: 3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]propane-1-sulfonic acid CAS Name: 3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]-1-propanesulfonic acid IUPAC Name: 3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]propane-1-sulfonic acid Traditional Name: 3-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]propane-1-sulfonic acid Formula: C11H14NO3S3+ MolecularWeight: 304.42876

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCCCS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCCCS(=O)(=O)O

InChI

InChI=1S/C11H13NO3S3/c1-12-9-5-2-3-6-10(9)17-11(12)16-7-4-8-18(13,14)15/h2-3,5-6H,4,7-8H2,1H3/p+1