Molecule FYI-1015885

A

Molecule Summary:

ID: FYI-1015885
Names:
InChIKey: NGGWUGAHBVBDPF-UHFFFAOYSA-N
SMILES: CC2(C)COC(=O)CCCCC(=O)OCC(C)(C)COC(=O)c1ccc(cc1)C(=O)OC2

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015885 Edit

Molecule Structure InChIKey: NGGWUGAHBVBDPF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)COC(=O)CCCCC(=O)OCC(C)(C)COC(=O)c1ccc(cc1)C(=O)OC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015885
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.4875    6.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803    7.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6731    6.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    8.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    7.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    6.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803    3.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072    2.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    3.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072    1.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072    8.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    7.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1608    8.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1608    9.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2142    6.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875    6.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2142    4.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875    4.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    0.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2411    6.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2679    6.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2946    6.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2946    7.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742    3.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773    2.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638    4.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6012    4.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3409    1.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5479    2.0898    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 11  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 22  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
  8 27  2  0  0  0  0
  6 25  1  0  0  0  0
 14 24  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29  8  1  0  0  0  0
 20 30  1  0  0  0  0
 30 19  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015885-3D
FYIcenter.com

 64 65  0  0  0  0  0  0  0  0999 V2000
    0.1034   -3.0672    2.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701   -3.0134    3.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -1.4404    3.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -4.4892    4.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0939   -5.0757    6.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677   -5.1087    7.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1366   -4.5119    8.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263   -5.9277    7.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119   -7.4944    8.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238   -7.9384    6.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968   -8.8524    6.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560   -8.0164    4.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602   -8.4201    4.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937   -6.8189    4.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -5.9077    4.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9079   -4.1689    4.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1982   -3.6529    5.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700   -4.0074    3.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747   -2.9152    5.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -2.9756    6.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0334   -3.0731    6.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2973   -3.0010    8.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3378   -3.0791    6.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0592   -1.8832    6.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8239   -1.5974    4.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9454   -2.5349    3.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578   -3.8759    4.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9311   -4.1552    5.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5681   -2.0083    2.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183   -1.2977    1.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -2.1913    2.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964   -3.2525    2.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5555   -2.5015    1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8419   -2.5461    2.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -4.0826    1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1604   -0.8916    2.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -1.1406    4.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.9349    4.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853   -5.3150    3.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -4.6670    4.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019   -5.5005    8.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7502   -5.6932    7.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867   -7.9393    8.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0064   -7.7351    8.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146   -7.1441    6.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2556   -7.9315    6.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -9.7720    5.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4289   -9.1086    6.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -6.2116    5.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -6.2313    4.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0605   -4.2756    5.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056   -2.6305    5.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0473   -3.5690    6.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056   -4.5395    3.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -4.5565    2.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532   -2.9910    3.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194   -2.2737    6.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832   -2.2620    4.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252   -1.1470    6.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2892   -0.5990    4.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385   -4.6348    3.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686   -5.1891    5.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8201   -3.5007    3.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283   -4.1126    2.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  3 36  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
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  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
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 523👍, 0💬