2-[5-(6-sulfanylhexanoyl)thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-(6-sulfanylhexanoyl)thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-(6-sulfanylhexanoyl)-2-thienyl]acetic acid CAS Name: 2-[5-(6-mercapto-1-oxohexyl)-2-thiophenyl]acetic acid IUPAC Name: 2-[5-(6-sulfanylhexanoyl)thiophen-2-yl]acetic acid Traditional Name: 2-[5-(6-mercaptohexanoyl)-2-thienyl]acetic acid Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S2/c13-10(4-2-1-3-7-16)11-6-5-9(17-11)8-12(14)15/h5-6,16H,1-4,7-8H2,(H,14,15)