[(Z,2S,3R)-2-azido-1-oxidanyl-octadec-4-en-3-yl] benzoate

Systemtic Name: [(Z,2S,3R)-2-azido-1-oxidanyl-octadec-4-en-3-yl] benzoate Openeye Name: [(Z,1R)-1-[(1S)-1-azido-2-hydroxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(Z,2S,3R)-2-azido-1-hydroxyoctadec-4-en-3-yl] ester IUPAC Name: [(Z,2S,3R)-2-azido-1-hydroxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(Z,1R)-1-[(1S)-1-azido-2-hydroxy-ethyl]hexadec-2-enyl] ester Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(23(21-29)27-28-26)31-25(30)22-18-15-14-16-19-22/h14-20,23-24,29H,2-13,21H2,1H3/b20-17-/t23-,24+/m0/s1