Marvin  01280917282D          

 30 34  0  0  0  0            999 V2000
   -2.4013   -0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -0.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -0.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013   -2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9888   -2.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -2.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -3.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4013   -3.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4638   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5263   -2.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5263   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3513   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7638   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3513   -2.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -2.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7237   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -2.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  3  0  0  0  0
 17 18  1  0  0  0  0
 16 19  3  0  0  0  0
 19 20  1  0  0  0  0
 21 18  2  0  0  0  0
 18 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 29 20  2  0  0  0  0
 20 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <ID>
CHEBI:51675

> <NAME>
9,10-bis(phenylethynyl)anthracene

> <STAR>
3

> <SYNONYM>
Bis(PhCC)-Anthracene; Anthracene, 9,10-bis(2-phenylethynyl)-

> <IUPAC_NAME>
9,10-bis(phenylethynyl)anthracene

> <FORMULA>
C30H18

> <MASS>
378.46392

> <MONOISOTOPIC_MASS>
378.14085

> <CHARGE>
0

> <SMILES>
c1ccc(cc1)C#Cc1c2ccccc2c(C#Cc2ccccc2)c2ccccc12

> <INCHI>
InChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H

> <INCHIKEY>
ZHBOFZNNPZNWGB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1891432

> <CAS_REGISTRY_NUMBER>
10075-85-1

> <CHEMIDPLUS>
10075-85-1

$$$$