4-methylbenzenesulfonate; (2-oxidanylidene-4-phenylazanyl-chromen-3-yl)-phenyl-iodanium

Systemtic Name: 4-methylbenzenesulfonate; (2-oxidanylidene-4-phenylazanyl-chromen-3-yl)-phenyl-iodanium Openeye Name: (4-anilino-2-oxo-chromen-3-yl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (4-anilino-2-oxo-1-benzopyran-3-yl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (4-anilino-2-oxochromen-3-yl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (4-anilino-2-keto-chromen-3-yl)-phenyl-iodonium tosylate Formula: C28H22INO5S MolecularWeight: 611.44745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[I+]C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[I+]C4=CC=CC=C4

InChI

InChI=1S/C21H14INO2.C7H8O3S/c24-21-19(22-15-9-3-1-4-10-15)20(23-16-11-5-2-6-12-16)17-13-7-8-14-18(17)25-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-14H;2-5H,1H3,(H,8,9,10)