[(2S)-2-oxidanyl-2-[(2R)-5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl]ethyl] 16-methylheptadecanoate

Systemtic Name: [(2S)-2-oxidanyl-2-[(2R)-5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl]ethyl] 16-methylheptadecanoate Openeye Name: [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-sulfooxy-2-furyl]ethyl] 16-methylheptadecanoate CAS Name: 16-methylheptadecanoic acid [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-sulfooxy-2-furanyl]ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-sulfooxyfuran-2-yl]ethyl] 16-methylheptadecanoate Traditional Name: 16-methylheptadecanoic acid [(2S)-2-hydroxy-2-[(2R)-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:

CC(C)CCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OS(=O)(=O)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)OS(=O)(=O)O)O

InChI

InChI=1S/C24H42O10S/c1-18(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(26)32-17-19(25)22-21(27)23(24(28)33-22)34-35(29,30)31/h18-19,22,25,28H,3-17H2,1-2H3,(H,29,30,31)/t19-,22+/m0/s1