[(2S,3R,4E,8E,10E)-9-methyl-3-oxidanyl-2-[[(2R)-2-oxidanyloctadecanoyl]amino]octadeca-4,8,10-trienyl] hydrogen sulfate

Systemtic Name: [(2S,3R,4E,8E,10E)-9-methyl-3-oxidanyl-2-[[(2R)-2-oxidanyloctadecanoyl]amino]octadeca-4,8,10-trienyl] hydrogen sulfate Openeye Name: [(2S,3R,4E,8E,10E)-3-hydroxy-2-[[(2R)-2-hydroxyoctadecanoyl]amino]-9-methyl-octadeca-4,8,10-trienyl] hydrogen sulfate CAS Name: sulfuric acid [(2S,3R,4E,8E,10E)-3-hydroxy-2-[[(2R)-2-hydroxy-1-oxooctadecyl]amino]-9-methyloctadeca-4,8,10-trienyl] ester IUPAC Name: [(2S,3R,4E,8E,10E)-3-hydroxy-2-[[(2R)-2-hydroxyoctadecanoyl]amino]-9-methyloctadeca-4,8,10-trienyl] hydrogen sulfate Traditional Name: sulfuric acid [(2S,3R,4E,8E,10E)-3-hydroxy-2-[[(2R)-2-hydroxyoctadecanoyl]amino]-9-methyl-octadeca-4,8,10-trienyl] ester Formula: C37H69NO7S MolecularWeight: 672.01126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)NC(COS(=O)(=O)O)C(C=CCCC=C(C)C=CCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](COS(=O)(=O)O)[C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)O)O

InChI

InChI=1S/C37H69NO7S/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-36(40)37(41)38-34(32-45-46(42,43)44)35(39)30-27-23-25-29-33(3)28-24-21-19-11-9-7-5-2/h24,27-30,34-36,39-40H,4-23,25-26,31-32H2,1-3H3,(H,38,41)(H,42,43,44)/b28-24+,30-27+,33-29+/t34-,35+,36+/m0/s1