4-methylbenzenesulfonate; (4-nitrophenyl)-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; (4-nitrophenyl)-phenyl-iodanium Openeye Name: 4-methylbenzenesulfonate; (4-nitrophenyl)-phenyl-iodonium CAS Name: 4-methylbenzenesulfonate; (4-nitrophenyl)-phenyliodonium IUPAC Name: 4-methylbenzenesulfonate; (4-nitrophenyl)-phenyliodanium Traditional Name: (4-nitrophenyl)-phenyl-iodonium tosylate Formula: C19H16INO5S MolecularWeight: 497.30351

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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=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H9INO2.C7H8O3S/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H;2-5H,1H3,(H,8,9,10)/q+1;/p-1