KEGG   COMPOUND: C14505
Entry
C14505                      Compound                               
Name
Di-n-decyl phthalate;
Didecyl phthalate;
Didecyl 1,2-benzenedicarboxylate
Formula
C28H46O4
Exact mass
446.3396
Mol weight
446.6624
Structure
Other DBs
CAS: 84-77-5
PubChem: 17395505
ChEBI: 34676
NIKKAJI: J35.437F
KCF data

ATOM        32
            1   C8x C    17.3907  -17.0573
            2   C8x C    17.3918  -18.4524
            3   C8x C    18.5981  -16.3589
            4   C8x C    18.6004  -19.1490
            5   C8y C    19.8068  -17.0553
            6   C8y C    19.8080  -18.4504
            7   C7a C    21.0144  -16.3570
            8   C7a C    21.0167  -19.1469
            9   O7a O    22.2230  -17.0535
            10  O7a O    22.2241  -18.4485
            11  C1b C    23.4199  -16.3608
            12  C1b C    24.6393  -17.0636
            13  C1b C    23.4014  -19.1266
            14  C1b C    24.5958  -18.4354
            15  O6a O    21.0133  -14.9373
            16  O6a O    21.0176  -20.7265
            17  C1b C    25.8713  -16.3507
            18  C1b C    27.0857  -17.0503
            19  C1b C    28.2686  -16.3659
            20  C1b C    29.4696  -17.0581
            21  C1b C    25.7981  -19.1275
            22  C1b C    27.0154  -18.4228
            23  C1b C    28.1998  -19.1046
            24  C1b C    29.3972  -18.4112
            25  C1b C    30.6723  -16.3627
            26  C1b C    31.8833  -17.0608
            27  C1b C    33.0620  -16.3793
            28  C1a C    34.2585  -17.0693
            29  C1b C    30.6121  -19.1105
            30  C1b C    31.8072  -18.4183
            31  C1b C    32.9965  -19.1029
            32  C1a C    34.1850  -18.4145
BOND        32
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5   7 1
            8     6   8 1
            9     7   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 1
            15    7  15 2
            16    8  16 2
            17   12  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   14  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   20  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   24  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1

» Japanese version

  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (4)   

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