Mrv1572004191602552D          

 41 38  0  0  0  0            999 V2000
   -7.0426    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3282   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6137    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8992   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7558    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2455   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3889    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178    0.2161    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.8894    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6039   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3184    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0329   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7473    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4618   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1763    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8907   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6052    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3197   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0342    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7486   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4631    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1776   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8920    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6065   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3210    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0355   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7499    0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0355   -0.9900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5323    0.6286    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  4  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 31  1  4  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
M  CHG  3  20  -1  40  -1  41   2
M  END
> <DATABASE_ID>
CHEM010255

> <DATABASE_NAME>
chemdb

> <SMILES>
[Co++].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C18H34O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2

> <INCHI_KEY>
LHEFLUZWISWYSQ-UHFFFAOYSA-L

> <FORMULA>
C36H66CoO4

> <MOLECULAR_WEIGHT>
621.853

> <EXACT_MASS>
621.429305

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
37.16386029836842

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-cobalt(2+) ion bis(octadec-9-enoate)

> <ALOGPS_LOGP>
10.62

> <JCHEM_LOGP>
6.783798451000001

> <ALOGPS_LOGS>
-8.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.988167283903808

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
98.2393

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.20e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ²-cobalt(2+) ion bis(9-octadecenoate)

> <JCHEM_VEBER_RULE>
0

> <NAME>
9-Octadecenoic acid (9Z)-, cobalt salt

> <CAS>
14666-94-5

$$$$