bis(4-tert-butylphenyl)-phenyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)-phenyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: bis(4-tert-butylphenyl)-phenyl-sulfonium; 4-methylbenzenesulfonate CAS Name: bis(4-tert-butylphenyl)-phenylsulfonium; 4-methylbenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)-phenylsulfanium; 4-methylbenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)-phenyl-sulfonium tosylate Formula: C33H38O3S2 MolecularWeight: 546.78302

Click to see the large picture

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=C(C=C3)C(C)(C)C

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=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H31S.C7H8O3S/c1-25(2,3)20-12-16-23(17-13-20)27(22-10-8-7-9-11-22)24-18-14-21(15-19-24)26(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-19H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1