Ketcher 05081513452D 1   1.00000     0.00000     0

 27 27  0     0  0            999 V2000
    7.8605   -4.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8605   -5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -4.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943   -6.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -4.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5926   -4.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5926   -5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7265   -4.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7265   -6.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3248   -5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4586   -4.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4586   -6.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1908   -4.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1908   -6.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0568   -4.5060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1908   -3.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9228   -4.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9226   -3.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7889   -4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7886   -2.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6548   -4.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6546   -3.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5206   -2.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3866   -3.0056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5205   -1.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  9  7  1  0     0  0
 10  8  1  0     0  0
  1  9  1  0     0  0
  2 10  1  0     0  0
 13 11  1  0     0  0
 14 12  1  0     0  0
  7 13  1  0     0  0
  8 14  1  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 15 17  1  0     0  0
 15 18  2  0     0  0
 20 19  1  0     0  0
 21 19  2  0     0  0
 22 20  2  0     0  0
 23 21  1  0     0  0
 24 22  1  0     0  0
 24 23  2  0     0  0
 17 19  1  0     0  0
 26 25  1  0     0  0
 27 25  2  0     0  0
 24 25  1  0     0  0
M  CHG  2  25   1  26  -1
M  END
> <ID>
CHEBI:85645

> <NAME>
p-nitrophenyl palmitate

> <DEFINITION>
A palmitate ester obtained by condensation of the carboxy group of palmitic acid with the phenolic hydroxy group of p-nitrophenol.

> <STAR>
3

> <SYNONYM>
paranitrophenyl palmitate; para-nitrophenyl palmitate; p-nitrophenyl hexadecanoate; Hexadecanoic acid 4-nitrophenyl ester; 4-Nitrophenyl palmitate; (4-nitrophenyl) hexadecanoate

> <IUPAC_NAME>
4-nitrophenyl hexadecanoate

> <FORMULA>
C22H35NO4

> <MASS>
377.51760

> <MONOISOTOPIC_MASS>
377.25661

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O

> <INCHI>
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3

> <INCHIKEY>
LVZSQWIWCANHPF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1492-30-4

> <REAXYS_REGISTRY_NUMBER>
1891754

> <CHEMIDPLUS>
1492-30-4

> <NIST_CHEMISTRY_WEBBOOK>
1492-30-4

> <PDBECHEM_ACCESSION>
PNR

> <PUBMED_CITATION>
24879090; 25388475; 25643732; 25765304

$$$$