KEGG   COMPOUND: C08397
Entry
C08397                      Compound                               
Name
5-(3-Buten-1-ynyl)-2,2'-bithiophene;
5-(3-Buten-1-ynyl)-2,2'-bithienyl
Formula
C12H8S2
Exact mass
216.0067
Mol weight
216.3219
Structure
Other DBs
CAS: 1134-61-8
PubChem: 10593
ChEBI: 2015
KNApSAcK: C00001274
NIKKAJI: J149.956D
LinkDB
KCF data

ATOM        14
            1   C8x C    14.9678  -20.4352
            2   C8x C    15.3881  -21.7706
            3   C8x C    16.7881  -21.7835
            4   C8y C    17.2330  -20.4561
            5   S2x S    16.1080  -19.6228
            6   C8y C    18.6330  -20.4561
            7   S2x S    19.7427  -21.2764
            8   C8y C    20.8688  -20.4800
            9   C8x C    20.4593  -19.1628
            10  C8x C    19.0801  -19.1452
            11  C3b C    22.1956  -20.9298
            12  C3b C    23.5479  -21.2922
            13  C2b C    24.9002  -21.6545
            14  C2a C    25.9124  -20.6425
BOND        15
            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 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    8  11 1
            13   11  12 3
            14   12  13 1
            15   13  14 2

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