Molecule FYI-1014371

Home > Molecule

A

Molecule Summary:

ID: FYI-1014371
Names:
InChIKey: BNXOHEFYBMGFSM-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(CCO)CCCO

Received at FYIcenter.com on: 2025-04-08

Molecule ID: FYI-1014371 Edit

Molecule Structure InChIKey: BNXOHEFYBMGFSM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(CCO)CCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1014371
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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  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  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014371-3D
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
    3.2380   -2.0103   -2.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278   -1.3998   -2.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019    0.1253   -2.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    0.6781   -2.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0257    2.1159   -2.2882 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5238    2.7002   -1.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7840    2.1244   -0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044    4.1655   -1.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3166    4.3817   -1.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8211    5.7459   -1.6014 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2055    6.7466   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5805    8.2166   -0.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2764    8.5891   -2.2896 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3008    5.7732   -1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0740    4.8428   -2.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7949    5.1153   -3.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5460    4.2119   -4.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3063   -3.0978   -2.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -1.6330   -3.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809   -1.7825   -1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1648   -1.6853   -3.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1795   -1.8299   -1.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656    0.4275   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0528    0.5676   -3.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5498    0.3889   -3.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5853    0.2439   -1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2298    4.7294   -0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546    4.4620   -2.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7808    3.6612   -1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6407    4.1013   -0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    6.5024    0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184    6.6982   -0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6396    8.4172   -0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    8.8674   -0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5988    7.8610   -2.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5971    5.5444   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6645    6.7838   -1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.7869   -2.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1488    4.9740   -2.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0762    6.1374   -4.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7381    4.9725   -4.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4868    4.3392   -4.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  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
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  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 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 990👍, 0💬