54330811
  -OEChem-05102418512D

 64 63  0     1  0  0  0  0  0999 V2000
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M  END
> <PUBCHEM_COMPOUND_CID>
54330811

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
396

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAABAAADwCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-ethylhexanoylperoxy 2-ethyl-2-isobutyl-hexaneperoxoate

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethyl-2-(2-methylpropyl)hexaneperoxoic acid (2-ethyl-1-oxohexyl)dioxy ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-ethylhexanoylperoxy 2-ethyl-2-(2-methylpropyl)hexaneperoxoate

> <PUBCHEM_IUPAC_NAME>
2-ethylhexanoylperoxy 2-ethyl-2-(2-methylpropyl)hexaneperoxoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-ethylhexanoylperoxy 2-ethyl-2-(2-methylpropyl)hexaneperoxoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-ethyl-2-isobutyl-hexaneperoxoic acid 2-ethylhexanoylperoxy ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H38O6/c1-7-11-13-17(9-3)18(21)23-25-26-24-19(22)20(10-4,14-12-8-2)15-16(5)6/h16-17H,7-15H2,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
SYFFKMXIIZYEBH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.5

> <PUBCHEM_EXACT_MASS>
374.26683893

> <PUBCHEM_MOLECULAR_FORMULA>
C20H38O6

> <PUBCHEM_MOLECULAR_WEIGHT>
374.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC(CC)C(=O)OOOOC(=O)C(CC)(CCCC)CC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC(CC)C(=O)OOOOC(=O)C(CC)(CCCC)CC(C)C

> <PUBCHEM_CACTVS_TPSA>
71.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
374.26683893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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

> <PUBCHEM_BONDANNOTATIONS>
19  22  3
7  10  3

$$$$