Molecule FYI-1006747

A

Molecule Summary:

ID: FYI-1006747
Names:
InChIKey: RJQIFWMKZIHGNH-UHFFFAOYSA-O
SMILES: CC(O)c1cc(C[P+](C)(N)C(=O)O)cc2ccccc12

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006747 Edit

Molecule Structure InChIKey: RJQIFWMKZIHGNH-UHFFFAOYSA-O

Molecule Structure SMILES String: CC(O)c1cc(C[P+](C)(N)C(=O)O)cc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006747
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    3.6373    2.1000    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
    4.8497    4.2000    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
    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006747-3D
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
    2.5017    0.5108   -1.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275    0.1610    0.0995 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1949    0.2985    0.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0549   -1.2440    0.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3388   -2.3350   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744   -3.6626    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553   -4.7846   -0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142   -5.8763   -1.5942 P   0  3  3  0  0  0  0  0  0  0  0  0
    3.4158   -4.9997   -2.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -6.9520   -0.8614 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915   -6.7353   -2.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -6.1191   -3.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702   -8.0876   -2.2685 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682   -3.9035    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5570   -2.8521    1.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6923   -3.1459    2.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5123   -2.1386    2.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2097   -0.8132    2.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0829   -0.5019    1.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -1.5001    1.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.4770   -1.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.2166   -1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134    0.5608   -1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.9238    0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783   -0.4786    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725   -2.1441   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0228   -4.3365   -1.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -5.3510    0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488   -4.2658   -2.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506   -4.4499   -3.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9175   -5.6743   -3.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -6.5681   -0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3740   -7.4603   -1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105   -8.3386   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0216   -4.9243    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9473   -4.1808    2.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3827   -2.3869    3.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8452   -0.0162    2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    0.5483    1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

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2024-01-24, 686👍, 0💬