4-methylbenzenesulfonate; [2-(4-octadecoxyphenyl)phenyl]iodanium

Systemtic Name: 4-methylbenzenesulfonate; [2-(4-octadecoxyphenyl)phenyl]iodanium Openeye Name: 4-methylbenzenesulfonate; [2-(4-octadecoxyphenyl)phenyl]iodonium CAS Name: 4-methylbenzenesulfonate; [2-(4-octadecoxyphenyl)phenyl]iodonium IUPAC Name: 4-methylbenzenesulfonate; [2-(4-octadecoxyphenyl)phenyl]iodanium Traditional Name: [2-(4-stearyloxyphenyl)phenyl]iodonium tosylate Formula: C37H53IO4S MolecularWeight: 720.78379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2[IH+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2[IH+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C30H46IO.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-32-28-24-22-27(23-25-28)29-20-17-18-21-30(29)31;1-6-2-4-7(5-3-6)11(8,9)10/h17-18,20-25,31H,2-16,19,26H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1