KEGG   COMPOUND: C14446
Entry
C14446                      Compound                               
Name
Tris(butoxyethyl)phosphate;
Tris(2-butoxyethyl) phosphate
Formula
C18H39O7P
Exact mass
398.2433
Mol weight
398.4718
Structure
Other DBs
CAS: 78-51-3
PubChem: 17395446
ChEBI: 35038
NIKKAJI: J2.828B
KCF data

ATOM        26
            1   P1b P    28.0513  -15.2983
            2   O3b O    28.0513  -13.8951
            3   O2b O    26.6480  -15.2983
            4   O2b O    28.0513  -16.7015
            5   O2b O    29.4544  -15.2983
            6   C1b C    30.6695  -14.5967
            7   C1b C    31.8849  -15.2983
            8   O2a O    33.1000  -14.5967
            9   C1b C    25.4329  -14.5967
            10  C1b C    24.2177  -15.2983
            11  C1b C    27.3496  -17.9166
            12  C1b C    28.0513  -19.1319
            13  O2a O    22.9836  -14.5856
            14  O2a O    27.3386  -20.3657
            15  C1b C    34.3016  -15.2900
            16  C1b C    35.5239  -14.5839
            17  C1b C    36.7066  -15.2663
            18  C1a C    37.9083  -14.5720
            19  C1b C    28.0546  -21.6056
            20  C1b C    27.3512  -22.8242
            21  C1b C    28.0352  -24.0080
            22  C1a C    27.3416  -25.2099
            23  C1b C    21.7663  -15.2881
            24  C1b C    20.5455  -14.5832
            25  C1b C    19.3621  -15.2661
            26  C1a C    18.1606  -14.5720
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 1
            9     9  10 1
            10    4  11 1
            11   11  12 1
            12   10  13 1
            13   12  14 1
            14    8  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   14  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   13  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1

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