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

Systemtic Name: 4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-propyl-phenol Openeye Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-propyl-phenol CAS Name: 4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-propylphenol IUPAC Name: 4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-propylphenol Traditional Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-propyl-phenol Formula: C23H21BrOS MolecularWeight: 425.38124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)O

InChI

InChI=1S/C23H21BrOS/c1-4-7-15-12-16(10-11-19(15)25)21-17-8-5-6-9-18(17)22(24)23-20(21)13(2)14(3)26-23/h5-6,8-12,25H,4,7H2,1-3H3