6,7-bis-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate; tris(4-tert-butylphenyl)sulfanium

Systemtic Name: 6,7-bis-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 6,7-bis(p-tolylsulfonyloxy)naphthalene-2-sulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 6,7-bis-(4-methylphenyl)sulfonyloxy-2-naphthalenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 6,7-bis-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 6,7-ditosyloxynaphthalene-2-sulfonate; tris(4-tert-butylphenyl)sulfonium Formula: C54H58O9S4 MolecularWeight: 979.29292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)C.CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)C.CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H39S.C24H20O9S3/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-16-3-8-20(9-4-16)35(28,29)32-23-14-18-7-12-22(34(25,26)27)13-19(18)15-24(23)33-36(30,31)21-10-5-17(2)6-11-21/h10-21H,1-9H3;3-15H,1-2H3,(H,25,26,27)/q+1;/p-1