3-fluoranyl-11,11-bis(oxidanylidene)benzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-fluoranyl-11,11-bis(oxidanylidene)benzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-fluoro-11,11-dioxo-benzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-fluoro-11,11-dioxo-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-fluoro-11,11-dioxobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-fluoro-11,11-diketo-benzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H9FO4S MolecularWeight: 304.292963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C15H9FO4S/c16-12-5-6-13-10(7-12)3-1-9-2-4-11(15(17)18)8-14(9)21(13,19)20/h1-8H,(H,17,18)