(4-ethylphenyl)-diphenyl-sulfanium; octane-1-sulfonate

Systemtic Name: (4-ethylphenyl)-diphenyl-sulfanium; octane-1-sulfonate Openeye Name: (4-ethylphenyl)-diphenyl-sulfonium; octane-1-sulfonate CAS Name: (4-ethylphenyl)-diphenylsulfonium; 1-octanesulfonate IUPAC Name: (4-ethylphenyl)-diphenylsulfanium; octane-1-sulfonate Traditional Name: (4-ethylphenyl)-diphenyl-sulfonium; octane-1-sulfonate Formula: C28H36O3S2 MolecularWeight: 484.71364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CCC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19S.C8H18O3S/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-3-4-5-6-7-8-12(9,10)11/h3-16H,2H2,1H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1