Molecule FYI-1001510

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A

Molecule Summary:

ID: FYI-1001510
SMILES: CSCCC(C(=O)[O-])N.CSCCC(C(=O)[O-])N.[Zn+2]

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001510 Edit

Molecule Structure SMILES String: CSCCC(C(=O)[O-])N.CSCCC(C(=O)[O-])N.[Zn+2]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001510
FYIcenter.com

 19 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4746    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    2.1000    0.0000 Zn  0  2  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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  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  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001510-3D
FYIcenter.com

 39 36  0  0  1  0  0  0  0  0999 V2000
    0.1886    4.9772   -2.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067    6.1614   -3.2222 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9451    5.1067   -2.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2667    5.8635   -2.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829    6.5377   -1.3422 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9395    7.1301   -1.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494    6.2864   -1.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214    8.3650   -1.6468 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4980    7.6110   -1.0439 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314    1.4384    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986    1.2828    1.0360 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    3.0481    0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933    4.0521    1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    3.7097    3.2453 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9575    3.4596    3.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906    4.3856    4.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3922    2.2439    3.8099 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8649    4.7952    3.9207 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2644    0.9867    2.9287 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   -0.7730    5.4353   -3.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760    4.6966   -1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146    4.0835   -3.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403    4.4089   -3.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7570    4.5145   -1.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3945    6.5806   -3.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0723    5.1252   -2.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    5.8016   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    8.1528   -1.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170    8.2845   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120    0.6775   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798    2.4185   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    1.2805    1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901    3.3239   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595    3.0774    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    4.1784    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    5.0209    1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    2.7994    3.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    5.5777    4.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    4.5257    4.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END
$$$$

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2022-10-01, 1448👍, 0💬