bis(4-tert-butylphenyl)iodanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 6-(p-tolylsulfonyloxy)naphthalene-2-sulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 6-(4-methylphenyl)sulfonyloxy-2-naphthalenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 6-tosyloxynaphthalene-2-sulfonate Formula: C37H39IO6S2 MolecularWeight: 770.73643

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H26I.C17H14O6S2/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-12-2-7-16(8-3-12)25(21,22)23-15-6-4-14-11-17(24(18,19)20)9-5-13(14)10-15/h7-14H,1-6H3;2-11H,1H3,(H,18,19,20)/q+1;/p-1