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

Systemtic Name: 4-dodecylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Openeye Name: 4-dodecylbenzenesulfonate; (4-isobutylphenyl)-(p-tolyl)iodonium CAS Name: 4-dodecylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodonium IUPAC Name: 4-dodecylbenzenesulfonate; (4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium Traditional Name: (4-isobutylphenyl)-(p-tolyl)iodonium; 4-laurylbesylate Formula: C35H49IO3S MolecularWeight: 676.73123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C18H30O3S.C17H20I/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16/h13-16H,2-12H2,1H3,(H,19,20,21);4-11,13H,12H2,1-3H3/q;+1/p-1