KEGG   COMPOUND: C03779
Entry
C03779                      Compound                               

Name
Bis(4-nitrophenyl)phosphate;
Bis-4-nitrophenyl phosphate
Formula
C12H9N2O8P
Exact mass
340.0097
Mol weight
340.1822
Structure
Other DBs
CAS: 645-15-8
PubChem: 6530
ChEBI: 3122
ChEMBL: CHEMBL1231178
PDB-CCD: B4N[PDBj]
NIKKAJI: J205.923A
KCF data

ATOM        23
            1   C8x C    13.0900  -16.7300
            2   C8y C    13.0900  -18.1300
            3   C8x C    14.3024  -18.8300
            4   C8x C    15.5149  -18.1300
            5   C8y C    15.5149  -16.7300
            6   C8x C    14.3024  -16.0300
            7   O2b O    16.7524  -16.0300
            8   P1b P    17.9649  -16.7300
            9   O2b O    19.1773  -17.4300
            10  C8y C    20.3918  -16.7288
            11  C8x C    21.5883  -17.4198
            12  C8x C    22.8008  -16.7199
            13  C8y C    22.8009  -15.3199
            14  C8x C    21.6044  -14.6290
            15  C8x C    20.3919  -15.3288
            16  N2b N    11.8776  -18.8300 #+
            17  N2b N    24.0232  -14.6142 #+
            18  O3a O    10.6821  -18.1396 #-
            19  O3a O    11.8775  -20.2298
            20  O3a O    25.2324  -15.3124 #-
            21  O3a O    24.0231  -13.2301
            22  O1c O    18.6709  -15.3667
            23  O1c O    17.2714  -17.9315
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    2  16 1
            18   13  17 1
            19   16  18 1
            20   16  19 2
            21   17  20 1
            22   17  21 2
            23    8  22 2
            24    8  23 1

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