2-(8-chloranyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(8-chloranyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(8-chloro-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C17H15ClFNO2 MolecularWeight: 319.757903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC(=C(C=C2C(=C1)C3=CC=CC=[N+]3[O-])F)Cl)C

Isomeric SMILES

CC1(COC2=CC(=C(C=C2C(=C1)C3=CC=CC=[N+]3[O-])F)Cl)C

InChI

InChI=1S/C17H15ClFNO2/c1-17(2)9-12(15-5-3-4-6-20(15)21)11-7-14(19)13(18)8-16(11)22-10-17/h3-9H,10H2,1-2H3