2-(7-chloranyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(7-chloranyl-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione Openeye Name: 2-(7-chloro-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione CAS Name: 2-(7-chloro-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione IUPAC Name: 2-(7-chloro-1,3-benzothiazol-2-yl)cyclohexane-1,3-dione Traditional Name: 2-(7-chloro-1,3-benzothiazol-2-yl)cyclohexane-1,3-quinone Formula: C13H10ClNO2S MolecularWeight: 279.742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=NC3=C(S2)C(=CC=C3)Cl

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=NC3=C(S2)C(=CC=C3)Cl

InChI

InChI=1S/C13H10ClNO2S/c14-7-3-1-4-8-12(7)18-13(15-8)11-9(16)5-2-6-10(11)17/h1,3-4,11H,2,5-6H2