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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=CC=C(C=C2)[IH+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=CC=C(C=C2)[IH+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H26IO.C7H8O3S/c1-2-3-4-5-6-9-16-22-20-11-8-7-10-19(20)17-12-14-18(21)15-13-17;1-6-2-4-7(5-3-6)11(8,9)10/h7-8,10-15,21H,2-6,9,16H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1