(3,5-dimethylphenyl)-(4-methoxyphenyl)-phenyl-sulfanium bromide

Systemtic Name: (3,5-dimethylphenyl)-(4-methoxyphenyl)-phenyl-sulfanium bromide Openeye Name: (3,5-dimethylphenyl)-(4-methoxyphenyl)-phenyl-sulfonium bromide CAS Name: (3,5-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfonium bromide IUPAC Name: (3,5-dimethylphenyl)-(4-methoxyphenyl)-phenylsulfanium bromide Traditional Name: (3,5-dimethylphenyl)-(4-methoxyphenyl)-phenyl-sulfonium bromide Formula: C21H21BrOS MolecularWeight: 401.35984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)OC)C.[Br-]

Isomeric SMILES

CC1=CC(=CC(=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)OC)C.[Br-]

InChI

InChI=1S/C21H21OS.BrH/c1-16-13-17(2)15-21(14-16)23(19-7-5-4-6-8-19)20-11-9-18(22-3)10-12-20;/h4-15H,1-3H3;1H/q+1;/p-1