2-[8,9-bis(chloranyl)-3,3-dimethyl-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[8,9-bis(chloranyl)-3,3-dimethyl-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(8,9-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(8,9-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(8,9-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(8,9-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C17H15Cl2NO2 MolecularWeight: 336.2125

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2Cl)Cl)C(=C1)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2Cl)Cl)C(=C1)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H15Cl2NO2/c1-17(2)9-12(14-5-3-4-8-20(14)21)11-6-7-13(18)15(19)16(11)22-10-17/h3-9H,10H2,1-2H3