2-[2,4-bis(chloranyl)-3,3-dimethyl-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2,4-bis(chloranyl)-3,3-dimethyl-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(2,4-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(2,4-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(2,4-dichloro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(2,4-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(C(OC2=CC=CC=C2C(=C1Cl)C3=CC=CC=[N+]3[O-])Cl)C

Isomeric SMILES

CC1(C(OC2=CC=CC=C2C(=C1Cl)C3=CC=CC=[N+]3[O-])Cl)C

InChI

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