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

Systemtic Name: 4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenol Openeye Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenol CAS Name: 4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenol IUPAC Name: 4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenol Traditional Name: 4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenol Formula: C25H23BrOS MolecularWeight: 451.41852

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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)C5CCCC5)Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)O)C5CCCC5)Br)C

InChI

InChI=1S/C25H23BrOS/c1-14-15(2)28-25-22(14)23(18-9-5-6-10-19(18)24(25)26)17-11-12-21(27)20(13-17)16-7-3-4-8-16/h5-6,9-13,16,27H,3-4,7-8H2,1-2H3