(E)-4-(4-ethyl-1-oxidanyl-octan-2-yl)oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-ethyl-1-oxidanyl-octan-2-yl)oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-ethyl-1-(hydroxymethyl)heptoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-ethyl-1-hydroxyoctan-2-yl)oxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-ethyl-1-hydroxyoctan-2-yl)oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3-ethyl-1-methylol-heptoxy)-4-keto-but-2-enoic acid Formula: C14H24O5 MolecularWeight: 272.33736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CO)OC(=O)C=CC(=O)O

Isomeric SMILES

CCCCC(CC)CC(CO)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H24O5/c1-3-5-6-11(4-2)9-12(10-15)19-14(18)8-7-13(16)17/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,16,17)/b8-7+