3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid

Systemtic Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Openeye Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid CAS Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid IUPAC Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Traditional Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid Formula: C16H11F3O2S MolecularWeight: 324.31755

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11F3O2S/c17-16(18,19)10-5-7-13-9(8-10)4-6-11-12(15(20)21)2-1-3-14(11)22-13/h1-3,5,7-8H,4,6H2,(H,20,21)