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

Systemtic Name: [(E)-3-[(4-chlorophenyl)amino]-1-ethoxy-1-oxidanylidene-but-2-en-2-yl]-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: [(E)-2-(4-chloroanilino)-1-ethoxycarbonyl-prop-1-enyl]-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: [(E)-3-(4-chloroanilino)-1-ethoxy-1-oxobut-2-en-2-yl]-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: [(E)-3-(4-chloroanilino)-1-ethoxy-1-oxobut-2-en-2-yl]-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: [(E)-1-carbethoxy-2-(4-chloroanilino)prop-1-enyl]-phenyl-iodonium tosylate Formula: C25H25ClINO5S MolecularWeight: 613.89217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=CC=C(C=C1)Cl)[I+]C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC1=CC=C(C=C1)Cl)/[I+]C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H17ClINO2.C7H8O3S/c1-3-23-18(22)17(20-15-7-5-4-6-8-15)13(2)21-16-11-9-14(19)10-12-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-12H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)