[(1S)-1-[(2R)-4-octadecoxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-2-sulfooxy-ethyl] hydrogen sulfate

Systemtic Name: [(1S)-1-[(2R)-4-octadecoxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-2-sulfooxy-ethyl] hydrogen sulfate Openeye Name: [(1S)-1-[(2R)-5-hydroxy-4-octadecoxy-3-oxo-2-furyl]-2-sulfooxy-ethyl] hydrogen sulfate CAS Name: sulfuric acid [(1S)-1-[(2R)-5-hydroxy-4-octadecoxy-3-oxo-2-furanyl]-2-sulfooxyethyl] ester IUPAC Name: [(1S)-1-[(2R)-5-hydroxy-4-octadecoxy-3-oxofuran-2-yl]-2-sulfooxyethyl] hydrogen sulfate Traditional Name: sulfuric acid [(1S)-1-[(2R)-5-hydroxy-3-keto-4-stearyloxy-2-furyl]-2-sulfoxy-ethyl] ester Formula: C24H44O12S2 MolecularWeight: 588.72896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(OC(C1=O)C(COS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(O[C@@H](C1=O)[C@H](COS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C24H44O12S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-23-21(25)22(35-24(23)26)20(36-38(30,31)32)19-34-37(27,28)29/h20,22,26H,2-19H2,1H3,(H,27,28,29)(H,30,31,32)/t20-,22+/m0/s1