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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-3-4-12-18(22-23-21)14-15-19(28-29(2,25)26)13-8-9-16-27-20(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