methyl 2-(2-methyl-3-oxidanylidene-1,2-benzothiazol-1-ium-1-yl)benzoate chloride

Systemtic Name: methyl 2-(2-methyl-3-oxidanylidene-1,2-benzothiazol-1-ium-1-yl)benzoate chloride Openeye Name: methyl 2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)benzoate chloride CAS Name: 2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)benzoic acid methyl ester chloride IUPAC Name: methyl 2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)benzoate chloride Traditional Name: 2-(3-keto-2-methyl-1,2-benzothiazol-1-ium-1-yl)benzoic acid methyl ester chloride Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3C(=O)OC.[Cl-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3C(=O)OC.[Cl-]

InChI

InChI=1S/C16H14NO3S.ClH/c1-17-15(18)11-7-3-5-9-13(11)21(17)14-10-6-4-8-12(14)16(19)20-2;/h3-10H,1-2H3;1H/q+1;/p-1