9-fluoranyl-3,4-dihydro-2H-1,5-benzoxathiepine-6-carboxylic acid

Systemtic Name: 9-fluoranyl-3,4-dihydro-2H-1,5-benzoxathiepine-6-carboxylic acid Openeye Name: 9-fluoro-3,4-dihydro-2H-1,5-benzoxathiepine-6-carboxylic acid CAS Name: 9-fluoro-3,4-dihydro-2H-1,5-benzoxathiepin-6-carboxylic acid IUPAC Name: 9-fluoro-3,4-dihydro-2H-1,5-benzoxathiepine-6-carboxylic acid Traditional Name: 9-fluoro-3,4-dihydro-2H-1,5-benzoxathiepin-6-carboxylic acid Formula: C10H9FO3S MolecularWeight: 228.240063

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC(=C2SC1)C(=O)O)F

Isomeric SMILES

C1COC2=C(C=CC(=C2SC1)C(=O)O)F

InChI

InChI=1S/C10H9FO3S/c11-7-3-2-6(10(12)13)9-8(7)14-4-1-5-15-9/h2-3H,1,4-5H2,(H,12,13)