trimethyl (1E,6E)-7-iodanylhepta-1,6-diene-1,4,4-tricarboxylate

Systemtic Name: trimethyl (1E,6E)-7-iodanylhepta-1,6-diene-1,4,4-tricarboxylate Openeye Name: trimethyl (1E,6E)-7-iodohepta-1,6-diene-1,4,4-tricarboxylate CAS Name: (1E,6E)-7-iodohepta-1,6-diene-1,4,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (1E,6E)-7-iodohepta-1,6-diene-1,4,4-tricarboxylate Traditional Name: (1E,6E)-7-iodohepta-1,6-diene-1,4,4-tricarboxylic acid trimethyl ester Formula: C13H17IO6 MolecularWeight: 396.17495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC(CC=CI)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/CC(C/C=C/I)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H17IO6/c1-18-10(15)6-4-7-13(8-5-9-14,11(16)19-2)12(17)20-3/h4-6,9H,7-8H2,1-3H3/b6-4+,9-5+