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

Systemtic Name: 4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenol Openeye Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenol CAS Name: 4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2,6-dimethylphenol IUPAC Name: 4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenol Traditional Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenol Formula: C22H19BrOS MolecularWeight: 411.35466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C

InChI

InChI=1S/C22H19BrOS/c1-11-9-15(10-12(2)21(11)24)19-16-7-5-6-8-17(16)20(23)22-18(19)13(3)14(4)25-22/h5-10,24H,1-4H3