70568037
  -OEChem-04232417172D

 64 63  0     0  0  0  0  0  0999 V2000
    6.0991    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4221    7.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    8.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    7.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3282    7.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4221    9.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621    9.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3282    8.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621    7.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    8.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    7.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    3.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.4950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9713    3.4831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982    4.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3513    4.5569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5372    7.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9390    7.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4150    9.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621    9.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8639    9.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621    6.5730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    9.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    7.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 64  1  0  0  0  0
  2 18  1  0  0  0  0
  2 55  1  0  0  0  0
  3 18  2  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 17  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 25  2  0  0  0  0
 21 24  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 24  2  0  0  0  0
 22 58  1  0  0  0  0
 23 26  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 27  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  2  0  0  0  0
 26 62  1  0  0  0  0
 27 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70568037

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACCAAgIAAIiAEGCIgMJjKEMRqCeCCkwBEIqAeIyKCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2H-chromene;tetradecanoic acid;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2H-1-benzopyran;tetradecanoic acid;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2<I>H</I>-chromene;tetradecanoic acid;hydrochloride

> <PUBCHEM_IUPAC_NAME>
2H-chromene;tetradecanoic acid;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2H-chromene;tetradecanoic acid;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2H-chromene;myristic acid;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H28O2.C9H8O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-6-9-8(4-1)5-3-7-10-9;/h2-13H2,1H3,(H,15,16);1-6H,7H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
LAEKUBVTCXBBGA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
396.2431227

> <PUBCHEM_MOLECULAR_FORMULA>
C23H37ClO3

> <PUBCHEM_MOLECULAR_WEIGHT>
397.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC(=O)O.C1C=CC2=CC=CC=C2O1.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC(=O)O.C1C=CC2=CC=CC=C2O1.Cl

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
396.2431227

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
19  20  8
19  23  8
20  25  8
23  26  8
25  27  8
26  27  8

$$$$