Molecule FYI-1002767

A

Molecule Summary:

ID: FYI-1002767
Names:
InChIKey: IFFAYHOHEONRIW-UHFFFAOYSA-L
SMILES: CCCCCCCC(=O)NCCN(CCOCCC(=O)[O-])CCC(=O)[O-]

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002767 Edit

Molecule Structure InChIKey: IFFAYHOHEONRIW-UHFFFAOYSA-L

Molecule Structure SMILES String: CCCCCCCC(=O)NCCN(CCOCCC(=O)[O-])CCC(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1002767
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  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  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002767-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    1.5096    2.8229    2.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0179    2.7435    1.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184    3.0087    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9327    2.9347    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    3.2080   -1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8242    3.1318   -1.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2443    3.4197   -2.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7376    3.2475   -2.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    2.4538   -2.2152 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3292    3.9910   -3.9051 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7615    3.9038   -4.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3562    4.7488   -5.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2400    6.2145   -5.1434 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7445    6.8015   -3.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2495    6.6330   -3.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6514    7.2258   -2.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0335    6.5887   -1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6206    7.1457    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9242    6.5597    1.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0219    5.7052    1.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3640    7.0153    2.3938 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.8460    6.8871   -6.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3054    6.4867   -7.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8422    6.8623   -7.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5960    8.1020   -7.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0634    5.8870   -8.0776 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2344    2.6302    3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0046    2.0826    1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368    3.8156    1.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    1.7508    2.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4964    3.4759    2.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605    4.0001    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9318    2.2752   -0.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2936    1.9427    0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4228    3.6662    0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9516    4.1993   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8227    2.4734   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    2.1364   -1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9413    4.4316   -3.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7552    2.7088   -3.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7769    4.4864   -4.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9772    2.8505   -4.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2409    4.1298   -3.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4112    4.4702   -5.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1393    6.4040   -3.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5152    7.8762   -3.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8448    7.1345   -4.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5484    5.5782   -3.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1944    5.5071   -1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9619    6.8012   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5207    8.2380    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6939    6.9289    0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9248    6.6858   -6.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7377    7.9738   -6.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4682    5.4230   -7.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8775    7.0202   -8.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
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 23 58  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

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2023-04-26, 3429👍, 0💬