bis(4-tert-butylphenyl)iodanium; 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 2,4,6-triisopropyl-3-nitro-benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 2,4,6-triisopropyl-3-nitro-besylate Formula: C35H48INO5S MolecularWeight: 721.72879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1[N+](=O)[O-])C(C)C)S(=O)(=O)[O-])C(C)C.CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1[N+](=O)[O-])C(C)C)S(=O)(=O)[O-])C(C)C.CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26I.C15H23NO5S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-8(2)11-7-12(9(3)4)15(22(19,20)21)13(10(5)6)14(11)16(17)18/h7-14H,1-6H3;7-10H,1-6H3,(H,19,20,21)/q+1;/p-1