Marvin  01180611382D          

  3  2  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
M  ISO  1   3   3
M  END
> <ID>
CHEBI:33811

> <NAME>
hydrogen tritium oxide

> <STAR>
3

> <SYNONYM>
water-t1; water-t; tritiated water (HTO); monotritiated water; H(3)HO; ((3)H1)water

> <IUPAC_NAME>
hydrogen tritium oxide

> <FORMULA>
HTO

> <MASS>
20.023

> <MONOISOTOPIC_MASS>
20.01879

> <CHARGE>
0

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

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

> <INCHIKEY>
XLYOFNOQVPJJNP-MNYXATJNSA-N

> <CAS_REGISTRY_NUMBER>
13670-17-2

> <GMELIN_REGISTRY_NUMBER>
114

> <CHEMIDPLUS>
13670-17-2

> <NIST_CHEMISTRY_WEBBOOK>
13670-17-2

$$$$