bis(4-tert-butylphenyl)iodanium; 6-(phenylsulfonyloxy)naphthalene-2-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 6-(phenylsulfonyloxy)naphthalene-2-sulfonate Openeye Name: 6-(benzenesulfonyloxy)naphthalene-2-sulfonate; bis(4-tert-butylphenyl)iodonium CAS Name: 6-(benzenesulfonyloxy)-2-naphthalenesulfonate; bis(4-tert-butylphenyl)iodonium IUPAC Name: 6-(benzenesulfonyloxy)naphthalene-2-sulfonate; bis(4-tert-butylphenyl)iodanium Traditional Name: 6-besyloxynaphthalene-2-sulfonate; bis(4-tert-butylphenyl)iodonium Formula: C36H37IO6S2 MolecularWeight: 756.70985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I.C16H12O6S2/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;17-23(18,19)16-9-7-12-10-14(8-6-13(12)11-16)22-24(20,21)15-4-2-1-3-5-15/h7-14H,1-6H3;1-11H,(H,17,18,19)/q+1;/p-1