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

Systemtic Name: (4-azanyl-2-oxidanylidene-chromen-3-yl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (4-amino-2-oxo-chromen-3-yl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (4-amino-2-oxo-1-benzopyran-3-yl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (4-amino-2-oxochromen-3-yl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (4-amino-2-keto-chromen-3-yl)-phenyl-iodonium tosylate Formula: C22H18INO5S MolecularWeight: 535.35149

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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=C(C3=CC=CC=C3OC2=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=C(C3=CC=CC=C3OC2=O)N

InChI

InChI=1S/C15H10INO2.C7H8O3S/c17-14-11-8-4-5-9-12(11)19-15(18)13(14)16-10-6-2-1-3-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,(H-,17,18);2-5H,1H3,(H,8,9,10)