3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid

Systemtic Name: 3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Openeye Name: 3-fluoro-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid CAS Name: 3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid IUPAC Name: 3-fluoro-5,6-dihydrobenzo[b][1]benzothiepine-7-carboxylic acid Traditional Name: 3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-7-carboxylic acid Formula: C15H11FO2S MolecularWeight: 274.310043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11FO2S/c16-10-5-7-13-9(8-10)4-6-11-12(15(17)18)2-1-3-14(11)19-13/h1-3,5,7-8H,4,6H2,(H,17,18)