[(E)-1-ethoxy-3-(methylamino)-1-oxidanylidene-but-2-en-2-yl]-phenyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-ethoxy-3-(methylamino)-1-oxidanylidene-but-2-en-2-yl]-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: [(E)-1-ethoxycarbonyl-2-(methylamino)prop-1-enyl]-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: [(E)-1-ethoxy-3-(methylamino)-1-oxobut-2-en-2-yl]-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: [(E)-1-ethoxy-3-(methylamino)-1-oxobut-2-en-2-yl]-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: [(E)-1-carbethoxy-2-(methylamino)prop-1-enyl]-phenyl-iodonium tosylate Formula: C20H24INO5S MolecularWeight: 517.37773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC)[I+]C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC)/[I+]C1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H16INO2.C7H8O3S/c1-4-17-13(16)12(10(2)15-3)14-11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)