3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide

Systemtic Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Openeye Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide CAS Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonic acid hydroxide IUPAC Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Traditional Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Formula: C11H15NO4S2 MolecularWeight: 289.3711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O.[OH-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O.[OH-]

InChI

InChI=1S/C11H13NO3S2.H2O/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9;/h2-3,5-6H,4,7-8H2,1H3;1H2