2-ethanoyl-4-oxidanylidene-3-thiophen-2-yl-hexanoic acid

Systemtic Name: 2-ethanoyl-4-oxidanylidene-3-thiophen-2-yl-hexanoic acid Openeye Name: 2-acetyl-4-oxo-3-(2-thienyl)hexanoic acid CAS Name: 2-acetyl-4-oxo-3-thiophen-2-ylhexanoic acid IUPAC Name: 2-acetyl-4-oxo-3-thiophen-2-ylhexanoic acid Traditional Name: 2-acetyl-4-keto-3-(2-thienyl)hexanoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CS1)C(C(=O)C)C(=O)O

Isomeric SMILES

CCC(=O)C(C1=CC=CS1)C(C(=O)C)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-3-8(14)11(9-5-4-6-17-9)10(7(2)13)12(15)16/h4-6,10-11H,3H2,1-2H3,(H,15,16)