2-fluoranyl-5-oxidanyl-benzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 2-fluoranyl-5-oxidanyl-benzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 2-fluoro-5-hydroxy-benzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 2-fluoro-5-hydroxy-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 2-fluoro-5-hydroxybenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 2-fluoro-5-hydroxy-benzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H9FO3S MolecularWeight: 288.293563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC3=C(C=CC(=C3)F)C(=C2)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC3=C(C=CC(=C3)F)C(=C2)O

InChI

InChI=1S/C15H9FO3S/c16-10-3-4-11-12(17)5-8-1-2-9(15(18)19)6-13(8)20-14(11)7-10/h1-7,17H,(H,18,19)