(3-dodecanoyloxy-2-nitro-3-phenyl-propyl) dodecanoate

Systemtic Name: (3-dodecanoyloxy-2-nitro-3-phenyl-propyl) dodecanoate Openeye Name: (3-dodecanoyloxy-2-nitro-3-phenyl-propyl) dodecanoate CAS Name: dodecanoic acid [2-nitro-3-(1-oxododecoxy)-3-phenylpropyl] ester IUPAC Name: (3-dodecanoyloxy-2-nitro-3-phenylpropyl) dodecanoate Traditional Name: lauric acid (3-lauroyloxy-2-nitro-3-phenyl-propyl) ester Formula: C33H55NO6 MolecularWeight: 561.7929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(C(C1=CC=CC=C1)OC(=O)CCCCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(C(C1=CC=CC=C1)OC(=O)CCCCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C33H55NO6/c1-3-5-7-9-11-13-15-17-22-26-31(35)39-28-30(34(37)38)33(29-24-20-19-21-25-29)40-32(36)27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25,30,33H,3-18,22-23,26-28H2,1-2H3