(E)-5-[(E)-but-1-enyl]-4-ethyl-hex-2-enedioic acid

Systemtic Name: (E)-5-[(E)-but-1-enyl]-4-ethyl-hex-2-enedioic acid Openeye Name: (E)-5-[(E)-but-1-enyl]-4-ethyl-hex-2-enedioic acid CAS Name: (E)-5-[(E)-but-1-enyl]-4-ethyl-2-hexenedioic acid IUPAC Name: (E)-5-[(E)-but-1-enyl]-4-ethylhex-2-enedioic acid Traditional Name: (E)-5-[(E)-but-1-enyl]-4-ethyl-hex-2-enedioic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C(CC)C=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4/c1-3-5-6-10(12(15)16)9(4-2)7-8-11(13)14/h5-10H,3-4H2,1-2H3,(H,13,14)(H,15,16)/b6-5+,8-7+