(4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; (4-sulfonatooxyphenyl) sulfate

Systemtic Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; (4-sulfonatooxyphenyl) sulfate Openeye Name: (4-isobutylphenyl)-(p-tolyl)iodonium; (4-sulfonatooxyphenyl) sulfate CAS Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodonium; (4-sulfonatooxyphenyl) sulfate IUPAC Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; (4-sulfonatooxyphenyl) sulfate Traditional Name: (4-isobutylphenyl)-(p-tolyl)iodonium; (4-sulfatophenyl) sulfate Formula: C40H44I2O8S2 MolecularWeight: 970.7115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.C1=CC(=CC=C1OS(=O)(=O)[O-])OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C.C1=CC(=CC=C1OS(=O)(=O)[O-])OS(=O)(=O)[O-]

InChI

InChI=1S/2C17H20I.C6H6O8S2/c2*1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;7-15(8,9)13-5-1-2-6(4-3-5)14-16(10,11)12/h2*4-11,13H,12H2,1-3H3;1-4H,(H,7,8,9)(H,10,11,12)/q2*+1;/p-2