[(E)-2-azido-1-oxidanyl-undec-4-en-3-yl] benzoate

Systemtic Name: [(E)-2-azido-1-oxidanyl-undec-4-en-3-yl] benzoate Openeye Name: [(E)-1-(1-azido-2-hydroxy-ethyl)non-2-enyl] benzoate CAS Name: benzoic acid [(E)-2-azido-1-hydroxyundec-4-en-3-yl] ester IUPAC Name: [(E)-2-azido-1-hydroxyundec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-(1-azido-2-hydroxy-ethyl)non-2-enyl] ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-2-3-4-5-6-10-13-17(16(14-22)20-21-19)24-18(23)15-11-8-7-9-12-15/h7-13,16-17,22H,2-6,14H2,1H3/b13-10+