Marvin  09210515472D          

  3  2  0  0  0  0            999 V2000
    1.8693   -0.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -0.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
M  END
> <ID>
CHEBI:23012

> <NAME>
carbon disulfide

> <STAR>
3

> <SYNONYM>
CS2; carbon disulphide; carbon disulfide; carbon disulfide; Carbon disulfide

> <IUPAC_NAME>
disulfidocarbon; carbon disulfide

> <FORMULA>
CS2

> <MASS>
76.14270

> <MONOISOTOPIC_MASS>
75.94414

> <CHARGE>
0

> <SMILES>
S=C=S

> <INCHI>
InChI=1S/CS2/c2-1-3

> <INCHIKEY>
QGJOPFRUJISHPQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
75-15-0

> <CHEMIDPLUS>
75-15-0

> <KEGG_COMPOUND_ACCESSION>
C19033

> <NIST_CHEMISTRY_WEBBOOK>
75-15-0

$$$$