bis[(4-methylphenyl)carbonyl]iodanium; pyrene-1-sulfonate

Systemtic Name: bis[(4-methylphenyl)carbonyl]iodanium; pyrene-1-sulfonate Openeye Name: bis(4-methylbenzoyl)iodonium; pyrene-1-sulfonate CAS Name: bis[(4-methylphenyl)-oxomethyl]iodonium; 1-pyrenesulfonate IUPAC Name: bis(4-methylbenzoyl)iodanium; pyrene-1-sulfonate Traditional Name: bis(p-toluoyl)iodonium; pyrene-1-sulfonate Formula: C32H23IO5S MolecularWeight: 646.49149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IO2.C16H10O3S/c1-11-3-7-13(8-4-11)15(18)17-16(19)14-9-5-12(2)6-10-14;17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h3-10H,1-2H3;1-9H,(H,17,18,19)/q+1;/p-1