2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-nitro-phenol

Systemtic Name: 2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-nitro-phenol Openeye Name: 2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-nitro-phenol CAS Name: 2-bromo-4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-6-nitrophenol IUPAC Name: 2-bromo-4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-6-nitrophenol Traditional Name: 2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-nitro-phenol Formula: C20H13Br2NO3S MolecularWeight: 507.19512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13Br2NO3S/c1-9-10(2)27-20-16(9)17(12-5-3-4-6-13(12)18(20)22)11-7-14(21)19(24)15(8-11)23(25)26/h3-8,24H,1-2H3