Molecule Editor

Molecule ID: FYI-1002945 Edit

Molecule Structure InChIKey: SVGVRYASUYZHDK-OWQUTOFXSA-M

Molecule Structure SMILES String: NCCCCCN1O[Fe]2O/N=C\CCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC1=O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002945
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
   12.3492    6.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5561    6.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7629    6.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9699    6.0104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7961    7.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1293    7.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1424    6.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9354    6.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7285    6.0104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5451    4.8308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0135    3.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    1.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7561    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8261    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4630    1.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356    2.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388    3.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    4.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236    6.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562    7.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5429    7.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666    6.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    8.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1798   10.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   11.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0222   12.7557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497   13.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5129   13.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8760   13.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034   12.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002   11.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8460   10.1630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    8.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5229    7.6129    0.0000 Fe  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  9  1  0  0  0  0
  5 37  1  0  0  0  0
  7  1  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  2  0  0  0  0
 12 10  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
 16 14  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  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  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  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002945-3D
FYIcenter.com

 78 79  0  0  0  0  0  0  0  0999 V2000
    7.8129   -6.9241   -8.5608 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4057   -7.3051   -8.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4578   -6.0942   -8.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4612   -5.3208   -7.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3011   -4.2942   -7.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044   -3.4055   -5.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856   -2.4533   -5.5325 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370   -2.4188   -4.2933 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2215   -2.4563   -3.1214 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    4.1299   -4.1741   -2.5991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -4.2883   -1.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862   -3.8434   -1.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -3.5331   -2.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3888   -2.3689   -2.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433   -2.9100   -2.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0683   -1.9781   -1.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6032   -2.6165   -0.7459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8925   -2.7268    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5316   -3.1029    1.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725   -2.6315    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1003   -1.5786    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1172   -0.4873   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5491    0.6403   -0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3876   -0.5772   -1.3415 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3429    0.5127   -1.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813    1.7204   -3.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8546    2.0057   -4.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7324    3.2539   -5.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9148    3.0693   -6.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294    1.9487   -7.3623 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727    1.0869   -8.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6074    1.2788   -8.9327 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428   -0.1341   -8.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4145   -0.9555   -7.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5060   -1.4799   -6.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260   -0.8234   -6.3018 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197   -1.7531   -1.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3705   -7.7951   -8.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1238   -6.5274   -7.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2351   -8.0198   -7.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539   -7.8311   -9.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -6.5031   -8.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6675   -5.3927   -9.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4368   -4.8124   -6.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930   -6.0345   -6.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561   -4.8700   -7.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4159   -3.6664   -7.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891   -4.0832   -4.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530   -2.8425   -5.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396   -3.9437   -0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700   -4.4638   -2.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565   -3.5439   -3.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225   -1.5725   -3.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460   -1.7620   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -3.8562   -2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -3.2104   -3.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -1.6493   -2.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574   -1.0161   -1.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5790   -2.9861   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353   -3.0196    1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -3.5753    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186   -2.1431    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857   -0.8678    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1708   -0.0957   -2.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274    0.9430   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    2.6012   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6539    2.0452   -3.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1557    1.1370   -4.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    2.2204   -3.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4733    4.0715   -5.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7471    3.7270   -5.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9701    2.9858   -7.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5481    3.9918   -7.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    1.8118   -6.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -0.7685   -9.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.2129   -9.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789   -1.7103   -7.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455   -0.2967   -6.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 16  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 59  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 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 29  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 30 31  1  0  0  0  0
 30 74  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 35  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$