Marvin  09020509392D          

 20 30  0  0  0  0            999 V2000
    1.2758   -0.9484    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6304   -1.2018    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9252   -1.2072    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0630   -1.6207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4988   -1.6174    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2828   -2.0465    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9538   -1.5666    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6190   -1.5565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8799   -0.7738    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7049   -0.7801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0804   -2.4431    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5672   -1.7732    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2928   -2.6991    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5052   -2.4431    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0185   -1.7732    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5672   -0.9451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0804   -0.2751    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2752   -0.0192    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5052   -0.2751    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0185   -0.9451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  2  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
  7 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  2 16  1  0  0  0  0
  1 18  1  0  0  0  0
  3 20  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 10  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:33013

> <NAME>
dodecahedrane

> <STAR>
3

> <SYNONYM>
undecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane; hexadecahydro-5,2,1,6,3,4-[2,3]butanediyl[1,4]diylidenedipentaleno[2,1,6-cde:2',1',6'-gha]pentalene; dodecahedrane

> <IUPAC_NAME>
(C20-Ih)[5]fullerane

> <FORMULA>
C20H20

> <MASS>
260.37280

> <MONOISOTOPIC_MASS>
260.15650

> <CHARGE>
0

> <SMILES>
C12C3C4C5C1C1C6C2C2C3C3C4C4C5C1C1C6C2C3C41

> <INCHI>
InChI=1S/C20H20/c1-2-5-7-3(1)9-10-4(1)8-6(2)12-11(5)17-13(7)15(9)19-16(10)14(8)18(12)20(17)19/h1-20H

> <INCHIKEY>
OOHPORRAEMMMCX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1880116

> <CAS_REGISTRY_NUMBER>
4493-23-6

> <GMELIN_REGISTRY_NUMBER>
1326921

> <CHEMIDPLUS>
4493-23-6

> <NIST_CHEMISTRY_WEBBOOK>
4493-23-6

$$$$