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

Systemtic Name: 3-(5-hexadecylsulfanylfuran-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(5-hexadecylsulfanyl-2-furyl)-3-oxo-propanoic acid CAS Name: 3-[5-(hexadecylthio)-2-furanyl]-3-oxopropanoic acid IUPAC Name: 3-(5-hexadecylsulfanylfuran-2-yl)-3-oxopropanoic acid Traditional Name: 3-[5-(cetylthio)-2-furyl]-3-keto-propionic acid Formula: C23H38O4S MolecularWeight: 410.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=C(O1)C(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=C(O1)C(=O)CC(=O)O

InChI

InChI=1S/C23H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-23-17-16-21(27-23)20(24)19-22(25)26/h16-17H,2-15,18-19H2,1H3,(H,25,26)