9-bromanyl-4-[3-(bromomethyloxy)-5-nitro-phenyl]-2,3-dimethyl-benzo[f][1]benzothiole

Systemtic Name: 9-bromanyl-4-[3-(bromomethyloxy)-5-nitro-phenyl]-2,3-dimethyl-benzo[f][1]benzothiole Openeye Name: 9-bromo-4-[3-(bromomethoxy)-5-nitro-phenyl]-2,3-dimethyl-benzo[f]benzothiophene CAS Name: 9-bromo-4-[3-(bromomethoxy)-5-nitrophenyl]-2,3-dimethylbenzo[f][1]benzothiole IUPAC Name: 9-bromo-4-[3-(bromomethoxy)-5-nitrophenyl]-2,3-dimethylbenzo[f][1]benzothiole Traditional Name: 9-bromo-4-[3-(bromomethoxy)-5-nitro-phenyl]-2,3-dimethyl-benzo[f]benzothiophene Formula: C21H15Br2NO3S MolecularWeight: 521.2217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=CC(=C4)OCBr)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=CC(=C4)OCBr)[N+](=O)[O-])Br)C

InChI

InChI=1S/C21H15Br2NO3S/c1-11-12(2)28-21-18(11)19(16-5-3-4-6-17(16)20(21)23)13-7-14(24(25)26)9-15(8-13)27-10-22/h3-9H,10H2,1-2H3