Molecule FYI-1007148

A

Molecule Summary:

ID: FYI-1007148
Names:
InChIKey: JCQLNOMOLGQROU-UHFFFAOYSA-N
SMILES: CC(C)c3c(c1ccc(O)cc1)oc2cc(Cl)c(O)cc2c3=O

Received at FYIcenter.com on: 2024-02-03

Molecule ID: FYI-1007148 Edit

Molecule Structure InChIKey: JCQLNOMOLGQROU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c3c(c1ccc(O)cc1)oc2cc(Cl)c(O)cc2c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007148
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
  1  8  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  9 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 19 22  1  0  0  0  0
  4 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007148-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.5006   -1.1678   -1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   -0.1575   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.7119    1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783    1.2622   -0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    2.3986    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1745    2.3477    1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.3554    2.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4675    2.0856    3.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253    1.8278    2.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108    1.4732    3.7808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    1.8950    1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1468    2.1585    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    3.6932   -0.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7539    3.8719   -1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1194    5.1852   -1.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2414    5.4151   -2.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7127    7.0311   -2.5426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9877    4.3363   -2.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1083    4.5053   -3.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147    3.0304   -2.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4979    2.8076   -1.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1136    1.4382   -1.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303    0.5025   -1.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0269   -2.1130   -0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5306   -1.4159   -1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852   -0.7978   -2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3409   -0.1245    0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984   -0.7403    1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7661   -1.7294    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -0.1064    2.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    2.5186    2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    2.0553    4.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4027    1.2612    4.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657    1.7024    1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955    2.1610   -0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387    6.0189   -0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2760    5.4636   -3.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984    2.1964   -2.7441 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
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

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2024-02-11, 1276👍, 0💬