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

Systemtic Name: 6,7-bis-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 6,7-bis(p-tolylsulfonyloxy)naphthalene-2-sulfonate; tris-p-tolylsulfonium CAS Name: 6,7-bis-(4-methylphenyl)sulfonyloxy-2-naphthalenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 6,7-bis-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 6,7-ditosyloxynaphthalene-2-sulfonate; tris-p-tolylsulfonium Formula: C45H40O9S4 MolecularWeight: 853.0537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20O9S3.C21H21S/c1-16-3-8-20(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;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h3-15H,1-2H3,(H,25,26,27);4-15H,1-3H3/q;+1/p-1