Molecule Editor

Molecule ID: FYI-1003371 Edit

Molecule Structure InChIKey: VGZFSIFWLQYZFC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC(=O)OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003371
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.6866    2.2083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392    0.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2302    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1234    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7257    2.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6189    3.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2211    4.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1145    5.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4055    5.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7168    6.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0279    8.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256    6.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    8.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    7.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5526    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594    6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    7.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    6.1887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727    4.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7291    4.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378    3.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2360    2.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256    2.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169    3.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185    4.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603    8.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6437    8.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0892    7.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
 11  9  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  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003371-3D
FYIcenter.com

 58 59  0  0  0  0  0  0  0  0999 V2000
   -0.0078    0.7688   -4.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6721    0.1116   -5.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262   -0.4264   -7.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0896   -0.0138   -7.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282    1.0341   -8.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2297    2.5197   -8.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1437    3.2052   -7.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4147    4.1404   -7.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312    2.8068   -7.9613 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488    2.3850   -9.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8511    1.4254   -8.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    0.1939   -9.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928   -0.3927   -9.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560   -1.5305   -9.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   -2.0543   -9.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4772   -2.9906  -10.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0147   -1.6264   -8.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9510   -2.5676   -8.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6871   -2.3311   -6.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022   -1.1420   -6.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8111   -0.1089   -6.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.3679   -7.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3110   -0.4580   -3.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080   -0.5535   -4.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470   -0.1233   -4.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1774   -0.7483   -3.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
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  5 35  1  0  0  0  0
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  7  8  2  0  0  0  0
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 29 58  1  0  0  0  0
M  END
$$$$