(E)-3-[5-(2-oxidanylpropyl)thiophen-2-yl]but-2-enoic acid

Systemtic Name: (E)-3-[5-(2-oxidanylpropyl)thiophen-2-yl]but-2-enoic acid Openeye Name: (E)-3-[5-(2-hydroxypropyl)-2-thienyl]but-2-enoic acid CAS Name: (E)-3-[5-(2-hydroxypropyl)-2-thiophenyl]-2-butenoic acid IUPAC Name: (E)-3-[5-(2-hydroxypropyl)thiophen-2-yl]but-2-enoic acid Traditional Name: (E)-3-[5-(2-hydroxypropyl)-2-thienyl]but-2-enoic acid Formula: C11H14O3S MolecularWeight: 226.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(S1)C(=CC(=O)O)C)O

Isomeric SMILES

CC(CC1=CC=C(S1)/C(=C/C(=O)O)/C)O

InChI

InChI=1S/C11H14O3S/c1-7(5-11(13)14)10-4-3-9(15-10)6-8(2)12/h3-5,8,12H,6H2,1-2H3,(H,13,14)/b7-5+