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

Systemtic Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium; (phenylmethyl) sulfate Openeye Name: benzyl sulfate; (4-isobutylphenyl)-(p-tolyl)iodonium CAS Name: (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodonium; (phenylmethyl) sulfate IUPAC Name: benzyl sulfate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Traditional Name: benzyl sulfate; (4-isobutylphenyl)-(p-tolyl)iodonium Formula: C24H27IO4S MolecularWeight: 538.43825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20I.C7H8O4S/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;8-12(9,10)11-6-7-4-2-1-3-5-7/h4-11,13H,12H2,1-3H3;1-5H,6H2,(H,8,9,10)/q+1;/p-1