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

Systemtic Name: [(E)-3-azanyl-1-methoxy-1-oxidanylidene-but-2-en-2-yl]-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: [(E)-2-amino-1-methoxycarbonyl-prop-1-enyl]-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: [(E)-3-amino-1-methoxy-1-oxobut-2-en-2-yl]-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: [(E)-3-amino-1-methoxy-1-oxobut-2-en-2-yl]-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: [(E)-2-amino-1-carbomethoxy-prop-1-enyl]-phenyl-iodonium tosylate Formula: C18H20INO5S MolecularWeight: 489.32457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12INO2.C7H8O3S/c1-8(13)10(11(14)15-2)12-9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3,(H-,13,14);2-5H,1H3,(H,8,9,10)