3-chloranyl-2-(trifluoromethyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 3-chloranyl-2-(trifluoromethyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 3-chloro-2-(trifluoromethyl)-6H-benzo[b][1]benzothiepin-5-one CAS Name: 3-chloro-2-(trifluoromethyl)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 3-chloro-2-(trifluoromethyl)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 3-chloro-2-(trifluoromethyl)-6H-benzo[b][1]benzothiepin-5-one Formula: C15H8ClF3OS MolecularWeight: 328.73663

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=CC(=C(C=C3C1=O)Cl)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2SC3=CC(=C(C=C3C1=O)Cl)C(F)(F)F

InChI

InChI=1S/C15H8ClF3OS/c16-11-6-9-12(20)5-8-3-1-2-4-13(8)21-14(9)7-10(11)15(17,18)19/h1-4,6-7H,5H2