3-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-5-(bromomethyloxy)-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-5-(bromomethyloxy)-N-oxidanyl-benzeneamine oxide Openeye Name: 3-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-5-(bromomethoxy)-N-hydroxy-benzeneamine oxide CAS Name: 3-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-5-(bromomethoxy)-N-hydroxybenzeneamine oxide IUPAC Name: 3-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-5-(bromomethoxy)-N-hydroxybenzeneamine oxide Traditional Name: 3-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-5-(bromomethoxy)-N-hydroxy-benzeneamine oxide Formula: C21H17Br2NO3S MolecularWeight: 523.23758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Br2NO3S/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/h3-9,24-25H,10H2,1-2H3