bis(2,4-dimethylphenyl)-[4-(4-iodaniumylphenyl)phenyl]sulfanium triperchlorate

Systemtic Name: bis(2,4-dimethylphenyl)-[4-(4-iodaniumylphenyl)phenyl]sulfanium triperchlorate Openeye Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfonium triperchlorate CAS Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfonium triperchlorate IUPAC Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfanium triperchlorate Traditional Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfonium triperchlorate Formula: C28H27Cl3IO12S- MolecularWeight: 820.83525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[S+](C2=CC=C(C=C2)C3=CC=C(C=C3)[IH+])C4=C(C=C(C=C4)C)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=C(C=C1)[S+](C2=CC=C(C=C2)C3=CC=C(C=C3)[IH+])C4=C(C=C(C=C4)C)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H27IS.3ClHO4/c1-19-5-15-27(21(3)17-19)30(28-16-6-20(2)18-22(28)4)26-13-9-24(10-14-26)23-7-11-25(29)12-8-23;3*2-1(3,4)5/h5-18,29H,1-4H3;3*(H,2,3,4,5)/q+2;;;/p-3