1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenyl-phosphonium bromide Formula: C29H28BrPS2 MolecularWeight: 551.540381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC(S2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC(S2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H28PS2.BrH/c1-22(23-19-20-27-28(21-23)32-29(2,3)31-27)30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-22H,1-3H3;1H/q+1;/p-1