KEGG   COMPOUND: C08460
Entry
C08460                      Compound                               
Name
alpha-Terthienyl;
Terthiophene
Formula
C12H8S3
Exact mass
247.9788
Mol weight
248.3869
Structure
Other DBs
CAS: 1081-34-1
PubChem: 10653
ChEBI: 10335
KNApSAcK: C00001294
NIKKAJI: J102.960F
LinkDB
KCF data

ATOM        15
            1   C8x C    14.8400  -20.1600
            2   C8x C    15.1900  -21.5600
            3   C8x C    16.5900  -21.5600
            4   C8y C    17.0800  -20.2300
            5   S2x S    15.9600  -19.3900
            6   C8y C    18.4800  -20.2300
            7   C8x C    18.8300  -18.8300
            8   C8x C    20.2300  -18.8300
            9   C8y C    20.7200  -20.1600
            10  S2x S    19.6000  -21.0000
            11  C8y C    22.1200  -20.1600
            12  C8x C    22.4700  -21.5600
            13  C8x C    23.8700  -21.5600
            14  C8x C    24.3600  -20.2300
            15  S2x S    23.2400  -19.3900
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   11  15 1

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