KEGG   COMPOUND: C11082Help
Entry
C11082                      Compound                               

Name
2-N-Undecyltetrahydrothiophene;
UTHT
Formula
C15H30S
Exact mass
242.2068
Mol weight
242.4637
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 85438-98-8
PubChem: 13264
ChEBI: 1221
NIKKAJI: J2.788.528D
KCF data Show

ATOM        16
            1   C1x C    22.0539  -20.6675
            2   C1y C    22.4944  -19.3364
            3   S2x S    21.3574  -18.5076
            4   C1x C    20.2204  -19.3364
            5   C1x C    20.6538  -20.6675
            6   C1b C    23.7001  -18.6271
            7   C1b C    24.9031  -19.3307
            8   C1b C    26.1133  -18.6271
            9   C1b C    27.3232  -19.3307
            10  C1b C    28.5333  -18.6271
            11  C1b C    29.7434  -19.3307
            12  C1b C    30.9534  -18.6271
            13  C1b C    32.1635  -19.3307
            14  C1b C    33.3736  -18.6271
            15  C1b C    34.5766  -19.3307
            16  C1a C    35.7866  -18.6271
BOND        16
            1     7   8 1
            2     3   4 1
            3     8   9 1
            4     4   5 1
            5     9  10 1
            6     5   1 1
            7    10  11 1
            8    11  12 1
            9     2   6 1
            10   12  13 1
            11    1   2 1
            12   13  14 1
            13    6   7 1
            14   14  15 1
            15    2   3 1
            16   15  16 1

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