bis(3,4-dimethylphenyl)iodanium; pyrene-1-sulfonate

Systemtic Name: bis(3,4-dimethylphenyl)iodanium; pyrene-1-sulfonate Openeye Name: bis(3,4-dimethylphenyl)iodonium; pyrene-1-sulfonate CAS Name: bis(3,4-dimethylphenyl)iodonium; 1-pyrenesulfonate IUPAC Name: bis(3,4-dimethylphenyl)iodanium; pyrene-1-sulfonate Traditional Name: bis(3,4-dimethylphenyl)iodonium; pyrene-1-sulfonate Formula: C32H27IO3S MolecularWeight: 618.52445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C)C.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[I+]C2=CC(=C(C=C2)C)C)C.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H18I.C16H10O3S/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h5-10H,1-4H3;1-9H,(H,17,18,19)/q+1;/p-1