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

Systemtic Name: bis(2,4-dimethylphenyl)-[4-(4-iodaniumylphenyl)phenyl]sulfanium trihexafluorophosphate Openeye Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfonium trihexafluorophosphate CAS Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfonium trihexafluorophosphate IUPAC Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfanium trihexafluorophosphate Traditional Name: bis(2,4-dimethylphenyl)-[4-(4-iodoniophenyl)phenyl]sulfonium trihexafluorophosphate Formula: C28H27F18IP3S- MolecularWeight: 957.375991

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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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C28H27IS.3F6P/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*1-7(2,3,4,5)6/h5-18,29H,1-4H3;;;/q+2;3*-1