bis(4-tert-butylphenyl)iodanium; 4-(phenylmethyl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-(phenylmethyl)benzenesulfonate Openeye Name: 4-benzylbenzenesulfonate; bis(4-tert-butylphenyl)iodonium CAS Name: bis(4-tert-butylphenyl)iodonium; 4-(phenylmethyl)benzenesulfonate IUPAC Name: 4-benzylbenzenesulfonate; bis(4-tert-butylphenyl)iodanium Traditional Name: 4-benzylbesylate; bis(4-tert-butylphenyl)iodonium Formula: C33H37IO3S MolecularWeight: 640.61455

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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)CC2=CC=C(C=C2)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)CC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26I.C13H12O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h7-14H,1-6H3;1-9H,10H2,(H,14,15,16)/q+1;/p-1