[2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl)ethyl] hexadecanoate

Systemtic Name: [2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl)ethyl] hexadecanoate Openeye Name: [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxy-2-furyl)ethyl] hexadecanoate CAS Name: hexadecanoic acid [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxy-2-furanyl)ethyl] ester IUPAC Name: [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxyfuran-2-yl)ethyl] hexadecanoate Traditional Name: palmitic acid [2-hydroxy-2-(5-hydroxy-3-keto-4-sulfoxy-2-furyl)ethyl] ester Formula: C22H38O10S MolecularWeight: 494.59612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OS(=O)(=O)O)O

InChI

InChI=1S/C22H38O10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)20-19(25)21(22(26)31-20)32-33(27,28)29/h17,20,23,26H,2-16H2,1H3,(H,27,28,29)