(E)-2-ethoxycarbonyl-2-ethyl-7-iodanyl-hept-6-enoic acid

Systemtic Name: (E)-2-ethoxycarbonyl-2-ethyl-7-iodanyl-hept-6-enoic acid Openeye Name: (E)-2-ethoxycarbonyl-2-ethyl-7-iodo-hept-6-enoic acid CAS Name: (E)-2-ethoxycarbonyl-2-ethyl-7-iodo-6-heptenoic acid IUPAC Name: (E)-2-ethoxycarbonyl-2-ethyl-7-iodohept-6-enoic acid Traditional Name: (E)-2-carbethoxy-2-ethyl-7-iodo-hept-6-enoic acid Formula: C12H19IO4 MolecularWeight: 354.18133

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC=CI)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCC(CCC/C=C/I)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C12H19IO4/c1-3-12(10(14)15,11(16)17-4-2)8-6-5-7-9-13/h7,9H,3-6,8H2,1-2H3,(H,14,15)/b9-7+