KEGG   COMPOUND: C08456
Entry
C08456                      Compound                               
Name
Phenylheptatriyne;
1-Phenylhepta-1,3,5-triyne
Formula
C13H8
Exact mass
164.0626
Mol weight
164.20
Structure
Other DBs
CAS: 4300-27-0
PubChem: 10649
ChEBI: 671
KNApSAcK: C00001290
NIKKAJI: J516.148G
LinkDB
KCF data

ATOM        13
            1   C8y C    24.5000  -19.5300
            2   C3b C    25.9000  -19.5300
            3   C8x C    23.8000  -20.7200
            4   C8x C    23.8000  -18.3400
            5   C3b C    27.3000  -19.5300
            6   C8x C    22.4000  -20.7200
            7   C8x C    22.4000  -18.3400
            8   C3b C    28.7000  -19.5300
            9   C8x C    21.7000  -19.5300
            10  C3b C    30.1000  -19.5300
            11  C3b C    31.5000  -19.5300
            12  C3b C    32.9000  -19.5300
            13  C1a C    34.3000  -19.5300
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 3
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     6   9 2
            9     8  10 3
            10   10  11 1
            11   11  12 3
            12   12  13 1
            13    7   9 1

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