(4,5-dihexylthieno[3,2-e][1]benzothiol-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4,5-dihexylthieno[3,2-e][1]benzothiol-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (4,5-dihexylthieno[3,2-e]benzothiophen-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (4,5-dihexyl-2-thieno[3,2-e][1]benzothiolyl)methyl-triphenylphosphonium bromide IUPAC Name: (4,5-dihexylthieno[3,2-e][1]benzothiol-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (4,5-dihexylthieno[3,2-e]benzothiophen-2-yl)methyl-triphenyl-phosphonium bromide Formula: C41H46BrPS2 MolecularWeight: 713.811701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=C3C=C(SC3=C1CCCCCC)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=CS2.[Br-]

Isomeric SMILES

CCCCCCC1=C2C(=C3C=C(SC3=C1CCCCCC)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=CS2.[Br-]

InChI

InChI=1S/C41H46PS2.BrH/c1-3-5-7-18-26-36-37(27-19-8-6-4-2)41-39(38-28-29-43-40(36)38)30-35(44-41)31-42(32-20-12-9-13-21-32,33-22-14-10-15-23-33)34-24-16-11-17-25-34;/h9-17,20-25,28-30H,3-8,18-19,26-27,31H2,1-2H3;1H/q+1;/p-1