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

Systemtic Name: 2-[7,8-bis(chloranyl)-3,3-dimethyl-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(7,8-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(7,8-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(7,8-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7,8-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=CC(=C(C=C2C(=C1)C3=CC=CC=[N+]3[O-])Cl)Cl)C

Isomeric SMILES

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

InChI

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