3-(4-dodecylsulfanylfuran-2-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-dodecylsulfanylfuran-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(4-dodecylsulfanyl-2-furyl)-3-oxo-propanoic acid CAS Name: 3-[4-(dodecylthio)-2-furanyl]-3-oxopropanoic acid IUPAC Name: 3-(4-dodecylsulfanylfuran-2-yl)-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-(laurylthio)-2-furyl]propionic acid Formula: C19H30O4S MolecularWeight: 354.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=COC(=C1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=COC(=C1)C(=O)CC(=O)O

InChI

InChI=1S/C19H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-24-16-13-18(23-15-16)17(20)14-19(21)22/h13,15H,2-12,14H2,1H3,(H,21,22)