[(E)-2-azido-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-octadec-4-en-3-yl] benzoate

Systemtic Name: [(E)-2-azido-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-octadec-4-en-3-yl] benzoate Openeye Name: [(E)-1-[1-azido-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E)-2-azido-1-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]octadec-4-en-3-yl] ester IUPAC Name: [(E)-2-azido-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-[1-azido-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-ethyl]hexadec-2-enyl] ester Formula: C39H57N3O12 MolecularWeight: 759.88278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C39H57N3O12/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(53-38(47)31-22-19-18-20-23-31)32(41-42-40)25-49-39-37(52-30(5)46)36(51-29(4)45)35(50-28(3)44)34(54-39)26-48-27(2)43/h18-24,32-37,39H,6-17,25-26H2,1-5H3/b24-21+