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

Systemtic Name: disodium [(1S)-1-[(2R)-4-octadecoxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-2-sulfonatooxy-ethyl] sulfate Openeye Name: disodium [(1S)-1-[(2R)-5-hydroxy-4-octadecoxy-3-oxo-2-furyl]-2-sulfonatooxy-ethyl] sulfate CAS Name: disodium [(1S)-1-[(2R)-5-hydroxy-4-octadecoxy-3-oxo-2-furanyl]-2-sulfonatooxyethyl] sulfate IUPAC Name: disodium [(1S)-1-[(2R)-5-hydroxy-4-octadecoxy-3-oxofuran-2-yl]-2-sulfonatooxyethyl] sulfate Traditional Name: disodium [(1S)-1-[(2R)-5-hydroxy-3-keto-4-stearyloxy-2-furyl]-2-sulfato-ethyl] sulfate Formula: C24H42Na2O12S2 MolecularWeight: 632.69262

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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.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(O[C@@H](C1=O)[C@H](COS(=O)(=O)[O-])OS(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C24H44O12S2.2Na/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);;/q;2*+1/p-2/t20-,22+;;/m0../s1