(E)-4-oxidanylidene-4-(2,3,4-trimethylpentoxy)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2,3,4-trimethylpentoxy)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2,3,4-trimethylpentoxy)but-2-enoic acid CAS Name: (E)-4-oxo-4-(2,3,4-trimethylpentoxy)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2,3,4-trimethylpentoxy)but-2-enoic acid Traditional Name: (E)-4-keto-4-(2,3,4-trimethylpentoxy)but-2-enoic acid Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C(C)COC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4/c1-8(2)10(4)9(3)7-16-12(15)6-5-11(13)14/h5-6,8-10H,7H2,1-4H3,(H,13,14)/b6-5+