bis(4-tert-butylphenyl)iodanium; 9,10-dimethoxyanthracene-2-sulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 9,10-dimethoxyanthracene-2-sulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 9,10-dimethoxyanthracene-2-sulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 9,10-dimethoxy-2-anthracenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 9,10-dimethoxyanthracene-2-sulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 9,10-dimethoxyanthracene-2-sulfonate Formula: C36H39IO5S MolecularWeight: 710.66133

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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.COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26I.C16H14O5S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15/h7-14H,1-6H3;3-9H,1-2H3,(H,17,18,19)/q+1;/p-1