Molecule FYI-1016651

Home > Molecule

A

Molecule Summary:

ID: FYI-1016651
Names:
InChIKey: RKSBPFMNOJWYSB-UHFFFAOYSA-N
SMILES: CCC(CC)(c1ccc(O)cc1)c2ccc(O)cc2

Received at FYIcenter.com on: 2026-02-04

Molecule ID: FYI-1016651 Edit

Molecule Structure InChIKey: RKSBPFMNOJWYSB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(CC)(c1ccc(O)cc1)c2ccc(O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016651
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.5497    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
    2.4248    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9498    1.5876    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016651-3D
FYIcenter.com

 39 40  0     0  0  0  0  0  0999 V2000
   -4.5672    2.1829    0.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698    2.1806   -0.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -1.1286    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959   -2.0454   -1.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -2.0444    1.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -0.2145    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -0.2150   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2955   -2.9917   -1.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2817   -3.0091    1.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238    0.6445   -1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255    0.6445    1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -0.3325    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205   -0.3343   -1.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5529    1.4632   -1.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    1.4629    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485    0.4863    1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    0.4839   -1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4653    1.3842    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674    1.3825   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1314   -1.4443   -2.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -2.6752   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -1.4437    2.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033   -2.6646    1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -2.4534   -1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841   -3.5453   -2.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -3.7303   -0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284   -3.7555    0.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2392   -2.4859    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -3.5533    2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    0.7263   -1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7249    0.7275    1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055   -1.0034    1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072   -1.0072   -1.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7097    2.1597   -1.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122    2.1600    1.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9558    0.4217    1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575    0.4179   -1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5575    2.7399   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5603    2.7382    0.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 38  1  0  0  0  0
  2 19  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  2  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 18  2  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 412👍, 0💬