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

Systemtic Name: 4-methylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)iodanium Openeye Name: 4-methylbenzenesulfonate; (9-oxoxanthen-2-yl)iodonium CAS Name: 4-methylbenzenesulfonate; (9-oxo-2-xanthenyl)iodonium IUPAC Name: 4-methylbenzenesulfonate; (9-oxoxanthen-2-yl)iodanium Traditional Name: (9-ketoxanthen-2-yl)iodonium tosylate Formula: C20H15IO5S MolecularWeight: 494.29957

Click to see the large picture

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)[IH+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[IH+]

InChI

InChI=1S/C13H8IO2.C7H8O3S/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,14H;2-5H,1H3,(H,8,9,10)/q+1;/p-1