[(E,2S,3R)-2-azido-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate

Systemtic Name: [(E,2S,3R)-2-azido-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate Openeye Name: [(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-2-azido-3-benzoyloxyoctadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-2-azido-3-benzoyloxyoctadec-4-enyl] benzoate Traditional Name: benzoic acid [(E,2S,3R)-2-azido-3-benzoyloxy-octadec-4-enyl] ester Formula: C32H43N3O4 MolecularWeight: 533.70152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C1=CC=CC=C1)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C1=CC=CC=C1)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-30(39-32(37)28-23-18-15-19-24-28)29(34-35-33)26-38-31(36)27-21-16-14-17-22-27/h14-25,29-30H,2-13,26H2,1H3/b25-20+/t29-,30+/m0/s1