7,8-bis(chloranyl)-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 7,8-bis(chloranyl)-3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 7,8-dichloro-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 7,8-dichloro-3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 7,8-dichloro-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 7,8-dichloro-3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C17H17Cl2NO3 MolecularWeight: 354.22778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC(=C(C=C2OC1)Cl)Cl)(C3=CC=CC=[N+]3[O-])O)C

Isomeric SMILES

CC1(CC(C2=CC(=C(C=C2OC1)Cl)Cl)(C3=CC=CC=[N+]3[O-])O)C

InChI

InChI=1S/C17H17Cl2NO3/c1-16(2)9-17(21,15-5-3-4-6-20(15)22)11-7-12(18)13(19)8-14(11)23-10-16/h3-8,21H,9-10H2,1-2H3