[(Z,2S,3S,4R,5R)-2-acetamido-3,4,5-triacetyloxy-octadec-6-enyl] ethanoate

Systemtic Name: [(Z,2S,3S,4R,5R)-2-acetamido-3,4,5-triacetyloxy-octadec-6-enyl] ethanoate Openeye Name: [(Z,2S,3S,4R,5R)-2-acetamido-3,4,5-triacetoxy-octadec-6-enyl] acetate CAS Name: acetic acid [(Z,2S,3S,4R,5R)-2-acetamido-3,4,5-triacetyloxyoctadec-6-enyl] ester IUPAC Name: [(Z,2S,3S,4R,5R)-2-acetamido-3,4,5-triacetyloxyoctadec-6-enyl] acetate Traditional Name: acetic acid [(Z,2S,3S,4R,5R)-2-acetamido-3,4,5-triacetoxy-octadec-6-enyl] ester Formula: C28H47NO9 MolecularWeight: 541.67408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(C(C(C(COC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC/C=C\[C@H]([C@H]([C@H]([C@H](COC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H47NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-26(36-22(4)32)28(38-24(6)34)27(37-23(5)33)25(29-20(2)30)19-35-21(3)31/h17-18,25-28H,7-16,19H2,1-6H3,(H,29,30)/b18-17-/t25-,26+,27-,28+/m0/s1