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

Systemtic Name: 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate; tris(4-tert-butylphenyl)sulfanium Openeye Name: 3-methoxy-4-(p-tolylsulfonyloxy)benzenesulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: 3-methoxy-4-tosyloxy-besylate; tris(4-tert-butylphenyl)sulfonium Formula: C44H52O7S3 MolecularWeight: 789.07448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])OC.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=C(C=C2)S(=O)(=O)[O-])OC.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.C14H14O7S2/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;1-10-3-5-11(6-4-10)23(18,19)21-13-8-7-12(22(15,16)17)9-14(13)20-2/h10-21H,1-9H3;3-9H,1-2H3,(H,15,16,17)/q+1;/p-1