Molecule FYI-1009503

A

Molecule Summary:

ID: FYI-1009503
Names:
InChIKey: NKVTYAQSEJBFHE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(=O)CCCCCCCCCCCCCC(O)CCC

Received at FYIcenter.com on: 2024-05-12

Molecule ID: FYI-1009503 Edit

Molecule Structure InChIKey: NKVTYAQSEJBFHE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(=O)CCCCCCCCCCCCCC(O)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009503
FYIcenter.com

 31 30  0  0  0  0  0  0  0  0999 V2000
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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  2  0  0  0  0
 14 12  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  1  0  0  0  0
 20 19  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 29  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009503-3D
FYIcenter.com

 89 88  0  0  1  0  0  0  0  0999 V2000
   14.5440    4.9027   -7.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3601    4.3245   -5.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5733    2.8192   -5.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3879    2.2355   -4.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6021    0.7331   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4164    0.1515   -3.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6325   -1.3493   -3.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4495   -1.9337   -1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6662   -3.4348   -1.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4843   -4.0201   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6961   -5.5260   -0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4974   -6.0608    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7304   -5.5279    1.6479 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2787   -7.2981    1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9559   -7.6869    2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7279   -8.9188    3.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2211   -8.6639    3.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870   -9.8987    3.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4774   -9.6384    3.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2397  -10.8765    3.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7316  -10.6200    3.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4934  -11.8595    4.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9844  -11.6043    4.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7447  -12.8444    4.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2330  -12.5802    4.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0030  -13.8133    4.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5010  -13.5672    4.6936 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.8707  -12.4882    5.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2681  -14.8186    5.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9212  -15.9835    4.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6806  -17.2241    4.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3913    5.9846   -7.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8263    4.4613   -8.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5537    4.6998   -7.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3517    4.5519   -5.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    4.7895   -5.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5822    2.5909   -6.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8631    2.3536   -6.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3788    2.4586   -4.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0989    2.6961   -3.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6111    0.5077   -4.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8914    0.2702   -5.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4068    0.3751   -2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1263    0.6148   -2.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6416   -1.5726   -3.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9216   -1.8125   -3.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4400   -1.7079   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1597   -1.4681   -1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6763   -3.6564   -2.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538   -3.8966   -2.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4762   -3.7849   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   -3.5493    0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7097   -5.7593   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9769   -6.0110   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3404   -7.0649    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0248   -8.1191    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8781   -7.8776    2.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1920   -6.8534    3.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4543   -9.7671    2.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4529   -9.1837    4.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4929   -7.8103    3.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5139   -8.4101    1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7136  -10.7436    2.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7140  -10.1641    4.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7495   -8.7908    3.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7490   -9.3692    2.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9667  -11.7238    3.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9693  -11.1445    4.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0053   -9.7738    4.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0022  -10.3510    2.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2193  -12.7064    3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2244  -12.1281    5.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2601  -10.7583    4.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2550  -11.3345    2.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4724  -13.6912    3.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4764  -13.1145    5.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4976  -11.7344    5.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5062  -12.3155    3.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7037  -14.6449    4.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7290  -14.0805    5.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7681  -13.2804    3.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6203  -12.7313    6.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0411  -15.0737    6.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3479  -14.6195    5.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1526  -15.7265    3.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8514  -16.2077    4.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.7552  -17.0459    4.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4210  -18.0542    3.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4319  -17.5040    5.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 18  1  0  0  0  0
 17 61  1  0  0  0  0
 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 18 63  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 20 21  1  0  0  0  0
 20 67  1  0  0  0  0
 20 68  1  0  0  0  0
 21 22  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 22 23  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 23 24  1  0  0  0  0
 23 73  1  0  0  0  0
 23 74  1  0  0  0  0
 24 25  1  0  0  0  0
 24 75  1  0  0  0  0
 24 76  1  0  0  0  0
 25 26  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 26 27  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 81  1  0  0  0  0
 28 82  1  0  0  0  0
 29 30  1  0  0  0  0
 29 83  1  0  0  0  0
 29 84  1  0  0  0  0
 30 31  1  0  0  0  0
 30 85  1  0  0  0  0
 30 86  1  0  0  0  0
 31 87  1  0  0  0  0
 31 88  1  0  0  0  0
 31 89  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 2033👍, 0💬