Molecule FYI-1005397

A

Molecule Summary:

ID: FYI-1005397
Names:
InChIKey: STNAGBAJXGYSTO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCC)CCCCCCCCC

Received at FYIcenter.com on: 2023-10-27

Molecule ID: FYI-1005397 Edit

Molecule Structure InChIKey: STNAGBAJXGYSTO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCC)CCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005397
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
   32.7357    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  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  1  0  0  0  0
 11 10  1  0  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
 21 20  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 20  1  0  0  0  0
 31 30  1  0  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005397-3D
FYIcenter.com

111110  0  0  0  0  0  0  0  0999 V2000
    1.9004   -3.7787   -9.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4005   -3.9163   -9.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -2.5464   -9.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5663   -2.6811  -10.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2166   -1.3104   -9.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7207   -1.4453  -10.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3694   -0.0744  -10.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8718   -0.2114  -10.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5203    1.1584  -10.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0216    1.0210  -10.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6690    2.3886  -10.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1680    2.2464  -10.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8129    3.6110  -10.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3161    3.4617  -10.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9950    4.8082  -10.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7035    5.4420   -9.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3276    6.8050   -9.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8227    6.8745   -9.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5243    6.2388   -8.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4234    7.6073  -10.2238 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6987    8.3828  -11.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4587    8.5387  -12.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7481    7.2637  -13.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4314    6.5947  -13.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5947    7.5529  -14.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3077    7.9215  -15.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4681    8.9030  -16.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1664    9.2608  -17.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3187   10.2343  -18.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8802    7.6643  -10.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4922    9.0546  -10.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1260    9.7349   -8.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7792   11.1107   -8.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4221   11.7996   -7.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0721   13.1743   -7.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7029   13.8530   -6.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3483   15.2298   -6.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9837   15.9103   -4.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -4.7649   -9.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828   -3.1694  -10.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -3.3056   -8.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320   -4.4126  -10.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7980   -4.5482   -9.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -2.0492   -8.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6612   -1.9125  -10.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8018   -3.1740  -10.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9699   -3.3107   -9.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834   -0.8151   -9.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152   -0.6784  -10.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556   -1.9398  -11.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1239   -2.0741   -9.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1354    0.4214   -9.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9671    0.5555  -10.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1071   -0.7065  -11.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753   -0.8407   -9.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2865    1.6546   -9.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1182    1.7889  -11.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2573    0.5268  -11.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4254    0.3902   -9.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4358    2.8851   -9.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2679    3.0217  -11.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054    1.7565  -11.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5735    1.6190   -9.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540    4.0804   -9.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4114    4.2549  -11.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5444    2.9767  -11.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7109    2.8308   -9.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6301    5.4436  -11.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0757    4.6926  -10.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0482    4.7992   -8.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6275    5.5882   -9.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0322    7.1872   -8.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8442    7.3860   -9.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5260    9.3986  -10.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7352    7.9376  -11.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3975    9.0326  -12.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8714    9.1992  -13.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4047    6.6137  -12.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3101    7.5287  -14.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    6.3370  -12.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5852    5.6609  -14.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3536    8.4628  -13.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6144    7.1221  -14.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4956    7.0101  -16.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2788    8.3861  -15.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3010    9.8059  -15.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4914    8.4574  -16.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3388    8.3539  -18.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1470    9.7053  -17.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3426    9.7964  -18.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8153   10.4936  -19.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1544   11.1540  -18.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2272    7.2104  -11.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2845    7.0164   -9.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1835    9.7123  -10.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5813    8.9766  -10.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4648    9.1301   -7.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0387    9.8434   -8.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4414   11.7206   -9.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8681   11.0128   -8.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7569   11.1878   -6.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3317   11.8938   -7.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7391   13.7855   -8.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1625   13.0830   -7.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0260   13.2347   -5.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6123   13.9427   -6.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0162   15.8467   -6.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4373   15.1357   -6.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8986   16.0336   -4.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4491   16.8981   -4.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3274   15.3181   -3.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2 42  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
  9 56  1  0  0  0  0
  9 57  1  0  0  0  0
 10 11  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 62  1  0  0  0  0
 12 63  1  0  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 14 67  1  0  0  0  0
 15 16  1  0  0  0  0
 15 68  1  0  0  0  0
 15 69  1  0  0  0  0
 16 17  1  0  0  0  0
 16 70  1  0  0  0  0
 16 71  1  0  0  0  0
 17 18  1  0  0  0  0
 17 72  1  0  0  0  0
 17 73  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 74  1  0  0  0  0
 21 75  1  0  0  0  0
 22 23  1  0  0  0  0
 22 76  1  0  0  0  0
 22 77  1  0  0  0  0
 23 24  1  0  0  0  0
 23 78  1  0  0  0  0
 23 79  1  0  0  0  0
 24 25  1  0  0  0  0
 24 80  1  0  0  0  0
 24 81  1  0  0  0  0
 25 26  1  0  0  0  0
 25 82  1  0  0  0  0
 25 83  1  0  0  0  0
 26 27  1  0  0  0  0
 26 84  1  0  0  0  0
 26 85  1  0  0  0  0
 27 28  1  0  0  0  0
 27 86  1  0  0  0  0
 27 87  1  0  0  0  0
 28 29  1  0  0  0  0
 28 88  1  0  0  0  0
 28 89  1  0  0  0  0
 29 90  1  0  0  0  0
 29 91  1  0  0  0  0
 29 92  1  0  0  0  0
 30 31  1  0  0  0  0
 30 93  1  0  0  0  0
 30 94  1  0  0  0  0
 31 32  1  0  0  0  0
 31 95  1  0  0  0  0
 31 96  1  0  0  0  0
 32 33  1  0  0  0  0
 32 97  1  0  0  0  0
 32 98  1  0  0  0  0
 33 34  1  0  0  0  0
 33 99  1  0  0  0  0
 33100  1  0  0  0  0
 34 35  1  0  0  0  0
 34101  1  0  0  0  0
 34102  1  0  0  0  0
 35 36  1  0  0  0  0
 35103  1  0  0  0  0
 35104  1  0  0  0  0
 36 37  1  0  0  0  0
 36105  1  0  0  0  0
 36106  1  0  0  0  0
 37 38  1  0  0  0  0
 37107  1  0  0  0  0
 37108  1  0  0  0  0
 38109  1  0  0  0  0
 38110  1  0  0  0  0
 38111  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 2596👍, 0💬