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

Systemtic Name: 3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Openeye Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide CAS Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonic acid hydroxide IUPAC Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Traditional Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonic acid hydroxide Formula: C11H14ClNO4S2 MolecularWeight: 323.81616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO3S2.H2O/c1-8-13(5-2-6-18(14,15)16)10-7-9(12)3-4-11(10)17-8;/h3-4,7H,2,5-6H2,1H3;1H2