3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide

Systemtic Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Openeye Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide CAS Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonic acid hydroxide IUPAC Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Traditional Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O.[OH-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O.[OH-]

InChI

InChI=1S/C12H15NO4S2.H2O/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9;/h4-5,8H,3,6-7H2,1-2H3;1H2