Molecule FYI-1004196

A

Molecule Summary:

ID: FYI-1004196
Names:
InChIKey: CZMRCDWAGMRECN-UHFFFAOYSA-N
SMILES: OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004196 Edit

Molecule Structure InChIKey: CZMRCDWAGMRECN-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004196
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    2.8077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    0.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    6.1389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823    3.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089    2.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.0000    0.0000 O   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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22  3  1  0  0  0  0
 23  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004196-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
    0.7483    0.2026    0.5497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1137    0.0069    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -1.1321    1.0392 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1249   -1.3067    0.6629 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3234   -1.9411   -0.6033 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7054   -2.1031   -0.8881 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5605   -0.9502   -0.9487 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9553   -1.5844   -1.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0516   -0.6815   -1.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074   -0.3077    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6243    1.1226    0.1634 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6263    1.8060    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9560    1.4023    0.7667 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7843    1.4233   -1.3362 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1109    1.6345   -1.8023 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900    0.1679   -1.9709 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7820    0.3978   -2.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559   -3.3372   -0.6077 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2128   -4.2036    0.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565   -3.1733   -0.3289 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5327   -4.4617   -0.3376 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674   -2.4661    1.0234 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5855   -2.3087    1.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347    0.9769    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.9375    0.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -0.1889   -0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7515   -0.7883    2.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8470   -1.3838   -1.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9025   -2.1686   -2.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165   -2.2898   -0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0464   -0.3029   -2.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6115    1.4023    0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406    1.5346    2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5643    2.8939    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9844    0.4276    0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2192    2.3265   -1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7327    1.3859   -1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5947   -0.0515   -2.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    0.7952   -1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -3.8443   -1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926   -3.6818    0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6726   -2.5958   -1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548   -5.0150    0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732   -3.1193    1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901   -1.4328    1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  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 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2670👍, 0💬