2-(3-methanoyl-5-pentyl-thiophen-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-methanoyl-5-pentyl-thiophen-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-formyl-5-pentyl-2-thienyl)sulfanyl]acetic acid CAS Name: 2-[(3-formyl-5-pentyl-2-thiophenyl)thio]acetic acid IUPAC Name: 2-(3-formyl-5-pentylthiophen-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-amyl-3-formyl-2-thienyl)thio]acetic acid Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(S1)SCC(=O)O)C=O

Isomeric SMILES

CCCCCC1=CC(=C(S1)SCC(=O)O)C=O

InChI

InChI=1S/C12H16O3S2/c1-2-3-4-5-10-6-9(7-13)12(17-10)16-8-11(14)15/h6-7H,2-5,8H2,1H3,(H,14,15)