[(2S)-2-[12-[(4-azido-2-nitro-phenyl)amino]dodecanoyloxy]-3-oxidanyl-propyl] tetradecanoate

Systemtic Name: [(2S)-2-[12-[(4-azido-2-nitro-phenyl)amino]dodecanoyloxy]-3-oxidanyl-propyl] tetradecanoate Openeye Name: [(2S)-2-[12-(4-azido-2-nitro-anilino)dodecanoyloxy]-3-hydroxy-propyl] tetradecanoate CAS Name: tetradecanoic acid [(2S)-2-[12-(4-azido-2-nitroanilino)-1-oxododecoxy]-3-hydroxypropyl] ester IUPAC Name: [(2S)-2-[12-(4-azido-2-nitroanilino)dodecanoyloxy]-3-hydroxypropyl] tetradecanoate Traditional Name: myristic acid [(2S)-2-[12-(4-azido-2-nitro-anilino)dodecanoyloxy]-3-hydroxy-propyl] ester Formula: C35H59N5O7 MolecularWeight: 661.87226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C35H59N5O7/c1-2-3-4-5-6-7-8-10-13-16-19-22-34(42)46-29-31(28-41)47-35(43)23-20-17-14-11-9-12-15-18-21-26-37-32-25-24-30(38-39-36)27-33(32)40(44)45/h24-25,27,31,37,41H,2-23,26,28-29H2,1H3/t31-/m0/s1