5-chloranyl-9-fluoranyl-3-nitro-5,6-dihydrobenzo[b][1]benzothiepine

Systemtic Name: 5-chloranyl-9-fluoranyl-3-nitro-5,6-dihydrobenzo[b][1]benzothiepine Openeye Name: 5-chloro-9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepine CAS Name: 5-chloro-9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin IUPAC Name: 5-chloro-9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepine Traditional Name: 5-chloro-9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin Formula: C14H9ClFNO2S MolecularWeight: 309.743163

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)F)Cl

Isomeric SMILES

C1C(C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)F)Cl

InChI

InChI=1S/C14H9ClFNO2S/c15-12-5-8-1-2-9(16)6-14(8)20-13-4-3-10(17(18)19)7-11(12)13/h1-4,6-7,12H,5H2