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

Systemtic Name: [2-[4-(2-ethylhexoxy)phenyl]phenyl]iodanium; 4-methylbenzenesulfonate Openeye Name: [2-[4-(2-ethylhexoxy)phenyl]phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: [2-[4-(2-ethylhexoxy)phenyl]phenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: [2-[4-(2-ethylhexoxy)phenyl]phenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: [2-[4-(2-ethylhexoxy)phenyl]phenyl]iodonium tosylate Formula: C27H33IO4S MolecularWeight: 580.51799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC=C(C=C1)C2=CC=CC=C2[IH+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)COC1=CC=C(C=C1)C2=CC=CC=C2[IH+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26IO.C7H8O3S/c1-3-5-8-16(4-2)15-22-18-13-11-17(12-14-18)19-9-6-7-10-20(19)21;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,9-14,16,21H,3-5,8,15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1