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

Systemtic Name: iodanium [2-(4-octoxyphenyl)phenyl] 2-methylbenzenesulfonate Openeye Name: iodonium [2-(4-octoxyphenyl)phenyl] 2-methylbenzenesulfonate CAS Name: iodonium 2-methylbenzenesulfonic acid [2-(4-octoxyphenyl)phenyl] ester IUPAC Name: iodanium [2-(4-octoxyphenyl)phenyl] 2-methylbenzenesulfonate Traditional Name: iodonium 2-methylbenzenesulfonic acid [2-(4-octoxyphenyl)phenyl] ester Formula: C27H34IO4S+ MolecularWeight: 581.52593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3C.[IH2+]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3C.[IH2+]

InChI

InChI=1S/C27H32O4S.H2I/c1-3-4-5-6-7-12-21-30-24-19-17-23(18-20-24)25-14-9-10-15-26(25)31-32(28,29)27-16-11-8-13-22(27)2;/h8-11,13-20H,3-7,12,21H2,1-2H3;1H2/q;+1