3-fluoranyl-5-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-fluoranyl-5-oxidanyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-fluoro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-fluoro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-fluoro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-fluoro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H11FO3S MolecularWeight: 290.309443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)F)SC3=C1C=CC(=C3)C(=O)O)O

Isomeric SMILES

C1C(C2=C(C=CC(=C2)F)SC3=C1C=CC(=C3)C(=O)O)O

InChI

InChI=1S/C15H11FO3S/c16-10-3-4-13-11(7-10)12(17)5-8-1-2-9(15(18)19)6-14(8)20-13/h1-4,6-7,12,17H,5H2,(H,18,19)