4-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate

Systemtic Name: 4-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate Openeye Name: 4-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate CAS Name: 4-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)-2-butanesulfonate IUPAC Name: 4-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate Traditional Name: 4-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate Formula: C12H14ClNO3S2 MolecularWeight: 319.82746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC(C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC(C)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14ClNO3S2/c1-8(19(15,16)17)5-6-14-9(2)18-12-4-3-10(13)7-11(12)14/h3-4,7-8H,5-6H2,1-2H3