[(2S,3S,4R)-2-azido-16-methyl-1-oxidanyl-3-(phenylcarbonyloxy)heptadecan-4-yl] benzoate

Systemtic Name: [(2S,3S,4R)-2-azido-16-methyl-1-oxidanyl-3-(phenylcarbonyloxy)heptadecan-4-yl] benzoate Openeye Name: [(1R)-1-[(1S,2S)-2-azido-1-benzoyloxy-3-hydroxy-propyl]-13-methyl-tetradecyl] benzoate CAS Name: benzoic acid [(2S,3S,4R)-2-azido-3-benzoyloxy-1-hydroxy-16-methylheptadecan-4-yl] ester IUPAC Name: [(2S,3S,4R)-2-azido-3-benzoyloxy-1-hydroxy-16-methylheptadecan-4-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,2S)-2-azido-1-benzoyloxy-3-hydroxy-propyl]-13-methyl-tetradecyl] ester Formula: C32H45N3O5 MolecularWeight: 551.7168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(C(CO)N=[N+]=[N-])OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H]([C@H]([C@H](CO)N=[N+]=[N-])OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H45N3O5/c1-25(2)18-12-8-6-4-3-5-7-9-17-23-29(39-31(37)26-19-13-10-14-20-26)30(28(24-36)34-35-33)40-32(38)27-21-15-11-16-22-27/h10-11,13-16,19-22,25,28-30,36H,3-9,12,17-18,23-24H2,1-2H3/t28-,29+,30-/m0/s1