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

Systemtic Name: [2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl)ethyl] octadecanoate Openeye Name: [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxy-2-furyl)ethyl] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic acid [2-hydroxy-2-(5-hydroxy-3-keto-4-sulfoxy-2-furyl)ethyl] ester Formula: C24H42O10S MolecularWeight: 522.64928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42O10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)32-18-19(25)22-21(27)23(24(28)33-22)34-35(29,30)31/h19,22,25,28H,2-18H2,1H3,(H,29,30,31)