bis(4-tert-butylphenyl)iodanium; 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 3-methoxy-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 3-methoxy-4-tosyloxy-besylate Formula: C34H39IO7S2 MolecularWeight: 750.70373

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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)[I+]C2=CC=C(C=C2)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)[I+]C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26I.C14H14O7S2/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;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/h7-14H,1-6H3;3-9H,1-2H3,(H,15,16,17)/q+1;/p-1