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

Systemtic Name: [(5S,8R)-5-azido-8-methylsulfonyloxy-dodecyl] benzoate Openeye Name: [(5S,8R)-5-azido-8-methylsulfonyloxy-dodecyl] benzoate CAS Name: benzoic acid [(5S,8R)-5-azido-8-methylsulfonyloxydodecyl] ester IUPAC Name: [(5S,8R)-5-azido-8-methylsulfonyloxydodecyl] benzoate Traditional Name: benzoic acid [(5S,8R)-5-azido-8-methylsulfonyloxy-dodecyl] ester Formula: C20H31N3O5S MolecularWeight: 425.54224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-3-4-13-19(28-29(2,25)26)15-14-18(22-23-21)12-8-9-16-27-20(24)17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3/t18-,19+/m0/s1