11146
 OpenBabel05082101102D

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 27105  1  0  0  0  0
 28 34  1  0  0  0  0
 28106  1  0  0  0  0
 28107  1  0  0  0  0
 29 35  1  0  0  0  0
 29108  1  0  0  0  0
 29109  1  0  0  0  0
 30 36  1  0  0  0  0
 30110  1  0  0  0  0
 30111  1  0  0  0  0
 31 37  1  0  0  0  0
 31112  1  0  0  0  0
 31113  1  0  0  0  0
 32 38  1  0  0  0  0
 32114  1  0  0  0  0
 32115  1  0  0  0  0
 33 39  1  0  0  0  0
 33116  1  0  0  0  0
 33117  1  0  0  0  0
 34 40  1  0  0  0  0
 34118  1  0  0  0  0
 34119  1  0  0  0  0
 35 41  1  0  0  0  0
 35120  1  0  0  0  0
 35121  1  0  0  0  0
 36 42  1  0  0  0  0
 36122  1  0  0  0  0
 36123  1  0  0  0  0
 37 43  1  0  0  0  0
 37124  1  0  0  0  0
 37125  1  0  0  0  0
 38 44  1  0  0  0  0
 38126  1  0  0  0  0
 38127  1  0  0  0  0
 39 45  1  0  0  0  0
 39128  1  0  0  0  0
 39129  1  0  0  0  0
 40 46  1  0  0  0  0
 40130  1  0  0  0  0
 40131  1  0  0  0  0
 41 47  1  0  0  0  0
 41132  1  0  0  0  0
 41133  1  0  0  0  0
 42 48  1  0  0  0  0
 42134  1  0  0  0  0
 42135  1  0  0  0  0
 43 49  1  0  0  0  0
 43136  1  0  0  0  0
 43137  1  0  0  0  0
 44 50  1  0  0  0  0
 44138  1  0  0  0  0
 44139  1  0  0  0  0
 45 53  1  0  0  0  0
 45140  1  0  0  0  0
 45141  1  0  0  0  0
 46 54  1  0  0  0  0
 46142  1  0  0  0  0
 46143  1  0  0  0  0
 47 51  1  0  0  0  0
 47144  1  0  0  0  0
 47145  1  0  0  0  0
 48 52  1  0  0  0  0
 48146  1  0  0  0  0
 48147  1  0  0  0  0
 49 56  1  0  0  0  0
 49148  1  0  0  0  0
 49149  1  0  0  0  0
 50 57  1  0  0  0  0
 50150  1  0  0  0  0
 50151  1  0  0  0  0
 51 58  1  0  0  0  0
 51152  1  0  0  0  0
 51153  1  0  0  0  0
 52 59  1  0  0  0  0
 52154  1  0  0  0  0
 52155  1  0  0  0  0
 53 60  1  0  0  0  0
 53156  1  0  0  0  0
 53157  1  0  0  0  0
 54 61  1  0  0  0  0
 54158  1  0  0  0  0
 54159  1  0  0  0  0
 55 62  1  0  0  0  0
 55 63  1  0  0  0  0
 55160  1  0  0  0  0
 57161  1  0  0  0  0
 57162  1  0  0  0  0
 57163  1  0  0  0  0
 58164  1  0  0  0  0
 58165  1  0  0  0  0
 58166  1  0  0  0  0
 59167  1  0  0  0  0
 59168  1  0  0  0  0
 59169  1  0  0  0  0
 62170  1  0  0  0  0
 62171  1  0  0  0  0
 63172  1  0  0  0  0
 63173  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11146

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
886

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
56

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAABABIAAAACAAAFAAACAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-di(octadecanoyloxy)propyl octadecanoate

>  <PUBCHEM_IUPAC_CAS_NAME>
octadecanoic acid 2,3-bis(1-oxooctadecoxy)propyl ester

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-di(octadecanoyloxy)propyl octadecanoate

>  <PUBCHEM_IUPAC_NAME>
2,3-di(octadecanoyloxy)propyl octadecanoate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-di(octadecanoyloxy)propyl octadecanoate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
stearic acid 2,3-distearoyloxypropyl ester

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DCXXMTOCNZCJGO-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
25.2

>  <PUBCHEM_EXACT_MASS>
890.830241

>  <PUBCHEM_MOLECULAR_FORMULA>
C57H110O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
891.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

>  <PUBCHEM_CACTVS_TPSA>
78.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
890.830241

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
63

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
