[(2S)-2-decanoyloxy-3-[(4-nitrophenoxy)-pentyl-phosphoryl]oxy-propyl] decanoate

Systemtic Name: [(2S)-2-decanoyloxy-3-[(4-nitrophenoxy)-pentyl-phosphoryl]oxy-propyl] decanoate Openeye Name: [(2S)-2-decanoyloxy-3-[(4-nitrophenoxy)-pentyl-phosphoryl]oxy-propyl] decanoate CAS Name: decanoic acid [(2S)-3-[(4-nitrophenoxy)-pentylphosphoryl]oxy-2-(1-oxodecoxy)propyl] ester IUPAC Name: [(2S)-2-decanoyloxy-3-[(4-nitrophenoxy)-pentylphosphoryl]oxypropyl] decanoate Traditional Name: capric acid [(2S)-3-[amyl-(4-nitrophenoxy)phosphoryl]oxy-2-capryloxy-propyl] ester Formula: C34H58NO9P MolecularWeight: 655.799381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC(COP(=O)(CCCCC)OC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(CCCCC)OC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCCCCCCCC

InChI

InChI=1S/C34H58NO9P/c1-4-7-10-12-14-16-18-21-33(36)41-28-32(43-34(37)22-19-17-15-13-11-8-5-2)29-42-45(40,27-20-9-6-3)44-31-25-23-30(24-26-31)35(38)39/h23-26,32H,4-22,27-29H2,1-3H3/t32-,45+/m0/s1