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

Systemtic Name: [(E,2S,3R)-2-azido-1-(methoxymethoxy)octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1S)-1-azido-2-(methoxymethoxy)ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-2-azido-1-(methoxymethoxy)octadec-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-2-azido-1-(methoxymethoxy)octadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1S)-1-azido-2-(methoxymethoxy)ethyl]hexadec-2-enyl] ester Formula: C27H43N3O4 MolecularWeight: 473.64802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26(25(29-30-28)22-33-23-32-2)34-27(31)24-19-16-15-17-20-24/h15-21,25-26H,3-14,22-23H2,1-2H3/b21-18+/t25-,26+/m0/s1