[(4S,6S)-4-azido-1,1-dimethoxy-pentadecan-6-yl] 4-nitrobenzoate

Systemtic Name: [(4S,6S)-4-azido-1,1-dimethoxy-pentadecan-6-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(2S)-2-azido-5,5-dimethoxy-pentyl]decyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S,6S)-4-azido-1,1-dimethoxypentadecan-6-yl] ester IUPAC Name: [(4S,6S)-4-azido-1,1-dimethoxypentadecan-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(2S)-2-azido-5,5-dimethoxy-pentyl]decyl] ester Formula: C24H38N4O6 MolecularWeight: 478.58172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(CCC(OC)OC)N=[N+]=[N-])OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC[C@@H](C[C@H](CCC(OC)OC)N=[N+]=[N-])OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C24H38N4O6/c1-4-5-6-7-8-9-10-11-22(18-20(26-27-25)14-17-23(32-2)33-3)34-24(29)19-12-15-21(16-13-19)28(30)31/h12-13,15-16,20,22-23H,4-11,14,17-18H2,1-3H3/t20-,22-/m0/s1