(4-tert-butylphenyl)-diphenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 4-methylbenzenesulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium tosylate Formula: C29H30O3S2 MolecularWeight: 490.6767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1