3-oxidanylidene-3-(4-undecylsulfanylfuran-3-yl)propanoic acid

Systemtic Name: 3-oxidanylidene-3-(4-undecylsulfanylfuran-3-yl)propanoic acid Openeye Name: 3-oxo-3-(4-undecylsulfanyl-3-furyl)propanoic acid CAS Name: 3-oxo-3-[4-(undecylthio)-3-furanyl]propanoic acid IUPAC Name: 3-oxo-3-(4-undecylsulfanylfuran-3-yl)propanoic acid Traditional Name: 3-keto-3-[4-(undecylthio)-3-furyl]propionic acid Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=COC=C1C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCSC1=COC=C1C(=O)CC(=O)O

InChI

InChI=1S/C18H28O4S/c1-2-3-4-5-6-7-8-9-10-11-23-17-14-22-13-15(17)16(19)12-18(20)21/h13-14H,2-12H2,1H3,(H,20,21)