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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)O

InChI

InChI=1S/C22H19BrOS/c1-4-14-11-15(9-10-18(14)24)20-16-7-5-6-8-17(16)21(23)22-19(20)12(2)13(3)25-22/h5-11,24H,4H2,1-3H3