tris(3,5-dioctylphenyl)sulfanium chloride

Systemtic Name: tris(3,5-dioctylphenyl)sulfanium chloride Openeye Name: tris(3,5-dioctylphenyl)sulfonium chloride CAS Name: tris(3,5-dioctylphenyl)sulfonium chloride IUPAC Name: tris(3,5-dioctylphenyl)sulfanium chloride Traditional Name: tris(3,5-dioctylphenyl)sulfonium chloride Formula: C66H111ClS MolecularWeight: 972.10554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1)[S+](C2=CC(=CC(=C2)CCCCCCCC)CCCCCCCC)C3=CC(=CC(=C3)CCCCCCCC)CCCCCCCC)CCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1)[S+](C2=CC(=CC(=C2)CCCCCCCC)CCCCCCCC)C3=CC(=CC(=C3)CCCCCCCC)CCCCCCCC)CCCCCCCC.[Cl-]

InChI

InChI=1S/C66H111S.ClH/c1-7-13-19-25-31-37-43-58-49-59(44-38-32-26-20-14-8-2)53-64(52-58)67(65-54-60(45-39-33-27-21-15-9-3)50-61(55-65)46-40-34-28-22-16-10-4)66-56-62(47-41-35-29-23-17-11-5)51-63(57-66)48-42-36-30-24-18-12-6;/h49-57H,7-48H2,1-6H3;1H/q+1;/p-1