KEGG   COMPOUND: C11076
Entry
C11076                      Compound                               
Name
2-N-Dodecyltetrahydrothiophene;
DTHT
Formula
C16H32S
Exact mass
256.2225
Mol weight
256.4903
Structure
Other DBs
CAS: 78313-84-5
PubChem: 13258
ChEBI: 1220
NIKKAJI: J2.788.525J
KCF data

ATOM        17
            1   C1x C    21.4489  -20.6694
            2   C1y C    21.8825  -19.3383
            3   S2x S    20.7454  -18.5093
            4   C1x C    19.6154  -19.3383
            5   C1x C    20.0489  -20.6694
            6   C1b C    23.0883  -18.6289
            7   C1b C    24.2986  -19.3325
            8   C1b C    25.5086  -18.6289
            9   C1b C    26.7188  -19.3325
            10  C1b C    27.9291  -18.6289
            11  C1b C    29.1391  -19.3325
            12  C1b C    30.3422  -18.6289
            13  C1b C    31.5525  -19.3325
            14  C1b C    32.7627  -18.6289
            15  C1b C    33.9727  -19.3325
            16  C1b C    35.1830  -18.6289
            17  C1a C    36.3932  -19.3325
BOND        17
            1     3   4 1
            2     8   9 1
            3     4   5 1
            4     9  10 1
            5     5   1 1
            6    10  11 1
            7    11  12 1
            8     2   6 1
            9    12  13 1
            10    1   2 1
            11   13  14 1
            12    6   7 1
            13   14  15 1
            14    2   3 1
            15   15  16 1
            16    7   8 1
            17   16  17 1

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