(4-tert-butylphenyl)-diphenyl-sulfanium; octane-1-sulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; octane-1-sulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; octane-1-sulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 1-octanesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; octane-1-sulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; octane-1-sulfonate Formula: C30H40O3S2 MolecularWeight: 512.7668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23S.C8H18O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-3-4-5-6-7-8-12(9,10)11/h4-17H,1-3H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1