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

Systemtic Name: (4-methylphenyl)-diphenyl-sulfanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate Openeye Name: diphenyl(p-tolyl)sulfonium; 6-(p-tolylsulfonyloxy)naphthalene-2-sulfonate CAS Name: (4-methylphenyl)-diphenylsulfonium; 6-(4-methylphenyl)sulfonyloxy-2-naphthalenesulfonate IUPAC Name: (4-methylphenyl)-diphenylsulfanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate Traditional Name: diphenyl(p-tolyl)sulfonium; 6-tosyloxynaphthalene-2-sulfonate Formula: C36H30O6S3 MolecularWeight: 654.8148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C19H17S.C17H14O6S2/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;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/h2-15H,1H3;2-11H,1H3,(H,18,19,20)/q+1;/p-1