6-chloranyl-1,3-benzothiazole-4-carboxylic acid

Systemtic Name: 6-chloranyl-1,3-benzothiazole-4-carboxylic acid Openeye Name: 6-chloro-1,3-benzothiazole-4-carboxylic acid CAS Name: 6-chloro-1,3-benzothiazole-4-carboxylic acid IUPAC Name: 6-chloro-1,3-benzothiazole-4-carboxylic acid Traditional Name: 6-chloro-1,3-benzothiazole-4-carboxylic acid Formula: C8H4ClNO2S MolecularWeight: 213.64086

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1SC=N2)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C2=C1SC=N2)C(=O)O)Cl

InChI

InChI=1S/C8H4ClNO2S/c9-4-1-5(8(11)12)7-6(2-4)13-3-10-7/h1-3H,(H,11,12)