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

Systemtic Name: 4-methylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)-phenyl-iodanium Openeye Name: 4-methylbenzenesulfonate; (9-oxoxanthen-2-yl)-phenyl-iodonium CAS Name: 4-methylbenzenesulfonate; (9-oxo-2-xanthenyl)-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; (9-oxoxanthen-2-yl)-phenyliodanium Traditional Name: (9-ketoxanthen-2-yl)-phenyl-iodonium tosylate Formula: C26H19IO5S MolecularWeight: 570.39553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H12IO2.C7H8O3S/c21-19-15-8-4-5-9-17(15)22-18-11-10-14(12-16(18)19)20-13-6-2-1-3-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-12H;2-5H,1H3,(H,8,9,10)/q+1;/p-1