1-azidooctan-2-yl butanoate

Systemtic Name: 1-azidooctan-2-yl butanoate Openeye Name: 1-(azidomethyl)heptyl butanoate CAS Name: butanoic acid 1-azidooctan-2-yl ester IUPAC Name: 1-azidooctan-2-yl butanoate Traditional Name: butyric acid 1-(azidomethyl)heptyl ester Formula: C12H23N3O2 MolecularWeight: 241.32992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN=[N+]=[N-])OC(=O)CCC

Isomeric SMILES

CCCCCCC(CN=[N+]=[N-])OC(=O)CCC

InChI

InChI=1S/C12H23N3O2/c1-3-5-6-7-9-11(10-14-15-13)17-12(16)8-4-2/h11H,3-10H2,1-2H3