3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate; tris(4-methylphenyl)sulfanium

Systemtic Name: 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate; tris(4-methylphenyl)sulfanium Openeye Name: 3-methoxy-4-(p-tolylsulfonyloxy)benzenesulfonate; tris-p-tolylsulfonium CAS Name: 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-methylphenyl)sulfonium IUPAC Name: 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-methylphenyl)sulfanium Traditional Name: 3-methoxy-4-tosyloxy-besylate; tris-p-tolylsulfonium Formula: C35H34O7S3 MolecularWeight: 662.83526

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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=C(C=C2)S(=O)(=O)[O-])OC

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=C(C=C2)S(=O)(=O)[O-])OC

InChI

InChI=1S/C21H21S.C14H14O7S2/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-10-3-5-11(6-4-10)23(18,19)21-13-8-7-12(22(15,16)17)9-14(13)20-2/h4-15H,1-3H3;3-9H,1-2H3,(H,15,16,17)/q+1;/p-1