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

Systemtic Name: 4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-nitro-phenol Openeye Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-nitro-phenol CAS Name: 4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-nitrophenol IUPAC Name: 4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-nitrophenol Traditional Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-nitro-phenol Formula: C20H14BrNO3S MolecularWeight: 428.29906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO3S/c1-10-11(2)26-20-17(10)18(13-5-3-4-6-14(13)19(20)21)12-7-8-16(23)15(9-12)22(24)25/h3-9,23H,1-2H3