60061097
  -OEChem-04262403482D

  5  3  0     0  0  0  0  0  0999 V2000
    2.0000    0.7500    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 H   2  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  1   4  -1
M  ISO  1   5   3
M  END
> <PUBCHEM_COMPOUND_CID>
60061097

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
13.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tritiooxymethanone;vanadium

> <PUBCHEM_IUPAC_CAS_NAME>
tritiooxymethanone;vanadium

> <PUBCHEM_IUPAC_NAME_MARKUP>
tritiooxymethanone;vanadium

> <PUBCHEM_IUPAC_NAME>
tritiooxymethanone;vanadium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tritiooxymethanone;vanadium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tritiooxymethanone;vanadium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHO2.V/c2-1-3;/h(H,2,3);/q-1;/i/hT

> <PUBCHEM_IUPAC_INCHIKEY>
TUUGYVOUWFDNAC-MNYXATJNSA-N

> <PUBCHEM_EXACT_MASS>
97.949836

> <PUBCHEM_MOLECULAR_FORMULA>
CHO2V-

> <PUBCHEM_MOLECULAR_WEIGHT>
97.967

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-](=O)O.[V]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[3H]O[C-]=O.[V]

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
97.949836

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
1

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$