(E)-3-[3-(3-oxidanylbutyl)thiophen-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[3-(3-oxidanylbutyl)thiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[3-(3-hydroxybutyl)-2-thienyl]but-2-enoic acid CAS Name: (E)-3-[3-(3-hydroxybutyl)-2-thiophenyl]-2-butenoic acid IUPAC Name: (E)-3-[3-(3-hydroxybutyl)thiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[3-(3-hydroxybutyl)-2-thienyl]but-2-enoic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(SC=C1)C(=CC(=O)O)C)O

Isomeric SMILES

CC(CCC1=C(SC=C1)/C(=C/C(=O)O)/C)O

InChI

InChI=1S/C12H16O3S/c1-8(7-11(14)15)12-10(5-6-16-12)4-3-9(2)13/h5-7,9,13H,3-4H2,1-2H3,(H,14,15)/b8-7+