bis(4-tert-butylphenyl)iodanium; 4-(phenylsulfonyloxy)naphthalene-1-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-(phenylsulfonyloxy)naphthalene-1-sulfonate Openeye Name: 4-(benzenesulfonyloxy)naphthalene-1-sulfonate; bis(4-tert-butylphenyl)iodonium CAS Name: 4-(benzenesulfonyloxy)-1-naphthalenesulfonate; bis(4-tert-butylphenyl)iodonium IUPAC Name: 4-(benzenesulfonyloxy)naphthalene-1-sulfonate; bis(4-tert-butylphenyl)iodanium Traditional Name: 4-besyloxynaphthalene-1-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=CC=C(C3=CC=CC=C32)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=CC=C(C3=CC=CC=C32)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)16-11-10-15(13-8-4-5-9-14(13)16)22-24(20,21)12-6-2-1-3-7-12/h7-14H,1-6H3;1-11H,(H,17,18,19)/q+1;/p-1