2-chloranyl-8-(trifluoromethyl)benzo[e][1]benzothiole-4-carboxylic acid

Systemtic Name: 2-chloranyl-8-(trifluoromethyl)benzo[e][1]benzothiole-4-carboxylic acid Openeye Name: 2-chloro-8-(trifluoromethyl)benzo[e]benzothiophene-4-carboxylic acid CAS Name: 2-chloro-8-(trifluoromethyl)-4-benzo[e][1]benzothiolecarboxylic acid IUPAC Name: 2-chloro-8-(trifluoromethyl)benzo[e][1]benzothiole-4-carboxylic acid Traditional Name: 2-chloro-8-(trifluoromethyl)benzo[e]benzothiophene-4-carboxylic acid Formula: C14H6ClF3O2S MolecularWeight: 330.70945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C3C=C(SC3=C(C=C21)C(=O)O)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=C3C=C(SC3=C(C=C21)C(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C14H6ClF3O2S/c15-11-5-9-8-4-7(14(16,17)18)2-1-6(8)3-10(13(19)20)12(9)21-11/h1-5H,(H,19,20)