NMPC 1599-Z-14-nonacosen (5363629)
 OpenBabel01112407163D

 87 86  0  0  0  0  0  0  0  0999 V2000
    1.3985    0.3302   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404   -0.9607   -0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0844    0.4447    1.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3831   -2.2794   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1823  -11.4419    3.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    1.8235    1.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7971  -11.8770    4.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6675  -10.0562    2.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.6473    1.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3259  -11.9586    4.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3119   -8.9782    3.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4727    2.9420    1.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095   -2.5100    1.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8137  -12.9843    3.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -8.8852    3.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389    2.7337    1.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3505  -14.4081    3.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920   -3.5809    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0181   -8.6633    2.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889    2.5976    2.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702  -14.9350    4.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1492   -4.9991    0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5508   -7.4846    1.8182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977    3.7235    3.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3958  -14.9552    5.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -5.1997    2.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2950   -6.2372    2.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5883    5.1088    3.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0319  -15.8497    4.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    1.1552   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    0.4385   -0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1453   -0.9396   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   -0.9409   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544    0.1404    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7514   -0.2296    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1741   -3.0859   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4697   -2.2742   -0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1586    1.7550    3.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.0789    1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7491  -10.0514    2.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0248   -3.6604    1.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1107   -2.0527    1.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6176   -7.5600    1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
5363629

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
290

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
25

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-nonacos-14-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
(Z)-14-nonacosene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-nonacos-14-ene

>  <PUBCHEM_IUPAC_NAME>
(Z)-nonacos-14-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-nonacos-14-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-nonacos-14-ene

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29H,3-26,28H2,1-2H3/b29-27-

>  <PUBCHEM_IUPAC_INCHIKEY>
WPSGBOIGKHHPCJ-OHYPFYFLSA-N

>  <PUBCHEM_XLOGP3_AA>
15

>  <PUBCHEM_EXACT_MASS>
406.453851850

>  <PUBCHEM_MOLECULAR_FORMULA>
C29H58

>  <PUBCHEM_MOLECULAR_WEIGHT>
406.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCC=CCCCCCCCCCCCCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCC

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
406.453851850

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
29

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

>  <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

$$$$
