3-fluoranyl-6-oxidanyl-benzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-fluoranyl-6-oxidanyl-benzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-fluoro-6-hydroxy-benzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-fluoro-6-hydroxy-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-fluoro-6-hydroxybenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-fluoro-6-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=C(C=C3)F)C=C2O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC3=C(C=C(C=C3)F)C=C2O

InChI

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