bis(9-oxidanylidenexanthen-2-yl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis(9-oxidanylidenexanthen-2-yl)iodanium; 4-methylbenzenesulfonate Openeye Name: bis(9-oxoxanthen-2-yl)iodonium; 4-methylbenzenesulfonate CAS Name: bis(9-oxo-2-xanthenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: bis(9-oxoxanthen-2-yl)iodanium; 4-methylbenzenesulfonate Traditional Name: bis(9-ketoxanthen-2-yl)iodonium tosylate Formula: C33H21IO7S MolecularWeight: 688.48511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O

InChI

InChI=1S/C26H14IO4.C7H8O3S/c28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-14H;2-5H,1H3,(H,8,9,10)/q+1;/p-1