3-oxidanylidene-3-(5-pentadecylsulfanylfuran-2-yl)propanoic acid

Systemtic Name: 3-oxidanylidene-3-(5-pentadecylsulfanylfuran-2-yl)propanoic acid Openeye Name: 3-oxo-3-(5-pentadecylsulfanyl-2-furyl)propanoic acid CAS Name: 3-oxo-3-[5-(pentadecylthio)-2-furanyl]propanoic acid IUPAC Name: 3-oxo-3-(5-pentadecylsulfanylfuran-2-yl)propanoic acid Traditional Name: 3-keto-3-[5-(pentadecylthio)-2-furyl]propionic acid Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=CC=C(O1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=CC=C(O1)C(=O)CC(=O)O

InChI

InChI=1S/C22H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-22-16-15-20(26-22)19(23)18-21(24)25/h15-16H,2-14,17-18H2,1H3,(H,24,25)