(E)-3-cyclododecyl-4-(2-ethoxyethoxy)-4-oxidanylidene-2-[tri(cyclododecyl)methyl]but-2-enoic acid

Systemtic Name: (E)-3-cyclododecyl-4-(2-ethoxyethoxy)-4-oxidanylidene-2-[tri(cyclododecyl)methyl]but-2-enoic acid Openeye Name: (E)-3-cyclododecyl-4-(2-ethoxyethoxy)-4-oxo-2-[tri(cyclododecyl)methyl]but-2-enoic acid CAS Name: (E)-3-cyclododecyl-4-(2-ethoxyethoxy)-4-oxo-2-[tri(cyclododecyl)methyl]-2-butenoic acid IUPAC Name: (E)-3-cyclododecyl-4-(2-ethoxyethoxy)-4-oxo-2-[tri(cyclododecyl)methyl]but-2-enoic acid Traditional Name: (E)-3-cyclododecyl-4-(2-ethoxyethoxy)-4-keto-2-[tri(cyclododecyl)methyl]but-2-enoic acid Formula: C57H102O5 MolecularWeight: 867.41678

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(C(=O)O)C(C1CCCCCCCCCCC1)(C2CCCCCCCCCCC2)C3CCCCCCCCCCC3)C4CCCCCCCCCCC4

Isomeric SMILES

CCOCCOC(=O)/C(=C(/C(=O)O)\C(C1CCCCCCCCCCC1)(C2CCCCCCCCCCC2)C3CCCCCCCCCCC3)/C4CCCCCCCCCCC4

InChI

InChI=1S/C57H102O5/c1-2-61-47-48-62-56(60)53(49-39-31-23-15-7-3-8-16-24-32-40-49)54(55(58)59)57(50-41-33-25-17-9-4-10-18-26-34-42-50,51-43-35-27-19-11-5-12-20-28-36-44-51)52-45-37-29-21-13-6-14-22-30-38-46-52/h49-52H,2-48H2,1H3,(H,58,59)/b54-53-