[(5S,8R)-5-azido-8-oxidanyl-dodecyl] benzoate

Systemtic Name: [(5S,8R)-5-azido-8-oxidanyl-dodecyl] benzoate Openeye Name: [(5S,8R)-5-azido-8-hydroxy-dodecyl] benzoate CAS Name: benzoic acid [(5S,8R)-5-azido-8-hydroxydodecyl] ester IUPAC Name: [(5S,8R)-5-azido-8-hydroxydodecyl] benzoate Traditional Name: benzoic acid [(5S,8R)-5-azido-8-hydroxy-dodecyl] ester Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(CCCCOC(=O)C1=CC=CC=C1)N=[N+]=[N-])O

Isomeric SMILES

CCCC[C@H](CC[C@H](CCCCOC(=O)C1=CC=CC=C1)N=[N+]=[N-])O

InChI

InChI=1S/C19H29N3O3/c1-2-3-12-18(23)14-13-17(21-22-20)11-7-8-15-25-19(24)16-9-5-4-6-10-16/h4-6,9-10,17-18,23H,2-3,7-8,11-15H2,1H3/t17-,18+/m0/s1