4-methylbenzenesulfonate; (4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium

Systemtic Name: 4-methylbenzenesulfonate; (4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium Openeye Name: 4-methylbenzenesulfonate; (4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodonium CAS Name: 4-methylbenzenesulfonate; (4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodonium IUPAC Name: 4-methylbenzenesulfonate; (4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium Traditional Name: (4-octoxyphenyl)-(2,4,6-trimethoxyphenyl)iodonium tosylate Formula: C30H39IO7S MolecularWeight: 670.59593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)[I+]C2=C(C=C(C=C2OC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[I+]C2=C(C=C(C=C2OC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H32IO4.C7H8O3S/c1-5-6-7-8-9-10-15-28-19-13-11-18(12-14-19)24-23-21(26-3)16-20(25-2)17-22(23)27-4;1-6-2-4-7(5-3-6)11(8,9)10/h11-14,16-17H,5-10,15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1