2-ethanoylsulfanyl-7-(furan-3-yl)heptanoic acid

Systemtic Name: 2-ethanoylsulfanyl-7-(furan-3-yl)heptanoic acid Openeye Name: 2-acetylsulfanyl-7-(3-furyl)heptanoic acid CAS Name: 2-(acetylthio)-7-(3-furanyl)heptanoic acid IUPAC Name: 2-acetylsulfanyl-7-(furan-3-yl)heptanoic acid Traditional Name: 2-(acetylthio)-7-(3-furyl)enanthic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCCCC1=COC=C1)C(=O)O

Isomeric SMILES

CC(=O)SC(CCCCCC1=COC=C1)C(=O)O

InChI

InChI=1S/C13H18O4S/c1-10(14)18-12(13(15)16)6-4-2-3-5-11-7-8-17-9-11/h7-9,12H,2-6H2,1H3,(H,15,16)