dimethyl (E)-2-(2,6-dimethylphenyl)-3-iodanyl-but-2-enedioate

Systemtic Name: dimethyl (E)-2-(2,6-dimethylphenyl)-3-iodanyl-but-2-enedioate Openeye Name: dimethyl (E)-2-(2,6-dimethylphenyl)-3-iodo-but-2-enedioate CAS Name: (E)-2-(2,6-dimethylphenyl)-3-iodo-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(2,6-dimethylphenyl)-3-iodobut-2-enedioate Traditional Name: (E)-2-(2,6-dimethylphenyl)-3-iodo-but-2-enedioic acid dimethyl ester Formula: C14H15IO4 MolecularWeight: 374.17097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=C(C(=O)OC)I)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C(=C(/C(=O)OC)\I)/C(=O)OC

InChI

InChI=1S/C14H15IO4/c1-8-6-5-7-9(2)10(8)11(13(16)18-3)12(15)14(17)19-4/h5-7H,1-4H3/b12-11+