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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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