Marvin  10130513082D          

  3  2  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <ID>
CHEBI:30704

> <NAME>
molybdenum disulfide

> <STAR>
3

> <SYNONYM>
MoS2; molybdenum sulfide; molybdenum disulphide; [MoS2]

> <IUPAC_NAME>
molybdenum(IV) sulfide; molybdenum disulfide; disulfidomolybdenum

> <FORMULA>
MoS2

> <MASS>
160.07200

> <MONOISOTOPIC_MASS>
161.84955

> <CHARGE>
0

> <SMILES>
S=[Mo]=S

> <INCHI>
InChI=1S/Mo.2S

> <INCHIKEY>
CWQXQMHSOZUFJS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1317-33-5

> <GMELIN_REGISTRY_NUMBER>
1822649

> <CHEMIDPLUS>
1317-33-5

> <MOLBASE_ACCESSION>
510

> <NIST_CHEMISTRY_WEBBOOK>
1317-33-5

$$$$