(4-tert-butylphenyl)-diphenyl-sulfanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate

Systemtic Name: (4-tert-butylphenyl)-diphenyl-sulfanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate Openeye Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 6-(p-tolylsulfonyloxy)naphthalene-2-sulfonate CAS Name: (4-tert-butylphenyl)-diphenylsulfonium; 6-(4-methylphenyl)sulfonyloxy-2-naphthalenesulfonate IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate Traditional Name: (4-tert-butylphenyl)-diphenyl-sulfonium; 6-tosyloxynaphthalene-2-sulfonate Formula: C39H36O6S3 MolecularWeight: 696.89454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C=C(C=C3)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)OC2=CC3=C(C=C2)C=C(C=C3)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.C17H14O6S2/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;1-12-2-7-16(8-3-12)25(21,22)23-15-6-4-14-11-17(24(18,19)20)9-5-13(14)10-15/h4-17H,1-3H3;2-11H,1H3,(H,18,19,20)/q+1;/p-1