[(5S,8R)-8-azido-5-methylsulfonyloxy-12-phenylmethoxy-dodecyl] benzoate

Systemtic Name: [(5S,8R)-8-azido-5-methylsulfonyloxy-12-phenylmethoxy-dodecyl] benzoate Openeye Name: [(5S,8R)-8-azido-12-benzyloxy-5-methylsulfonyloxy-dodecyl] benzoate CAS Name: benzoic acid [(5S,8R)-8-azido-5-methylsulfonyloxy-12-phenylmethoxydodecyl] ester IUPAC Name: [(5S,8R)-8-azido-5-methylsulfonyloxy-12-phenylmethoxydodecyl] benzoate Traditional Name: benzoic acid [(5S,8R)-8-azido-12-benzoxy-5-methylsulfonyloxy-dodecyl] ester Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCCCOC(=O)C1=CC=CC=C1)CCC(CCCCOCC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CS(=O)(=O)O[C@@H](CCCCOC(=O)C1=CC=CC=C1)CC[C@@H](CCCCOCC2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C27H37N3O6S/c1-37(32,33)36-26(17-9-11-21-35-27(31)24-14-6-3-7-15-24)19-18-25(29-30-28)16-8-10-20-34-22-23-12-4-2-5-13-23/h2-7,12-15,25-26H,8-11,16-22H2,1H3/t25-,26+/m1/s1