Marvin  12070514592D          

  3  2  0  0  0  0            999 V2000
    0.2751    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374    0.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -0.7101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  ISO  2   2   3   3   3
M  END
> <ID>
CHEBI:29374

> <NAME>
ditritium oxide

> <STAR>
3

> <SYNONYM>
ueberscheweres Wasser; tritium oxide; tritiated water; T2O; superheavy water; ((3)H2)water

> <IUPAC_NAME>
ditritium oxide

> <FORMULA>
T2O

> <MASS>
22.031

> <MONOISOTOPIC_MASS>
22.02701

> <CHARGE>
0

> <SMILES>
[3H]O[3H]

> <INCHI>
InChI=1S/H2O/h1H2/i/hT2

> <INCHIKEY>
XLYOFNOQVPJJNP-PWCQTSIFSA-N

> <CAS_REGISTRY_NUMBER>
14940-65-9

> <CHEMIDPLUS>
14940-65-9

$$$$