tioclomarol
  CDK     0223171739
null
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M  END
> <ID>
CHEBI:135730

> <NAME>
tioclomarol

> <STAR>
2

> <SYNONYM>
apegmone

> <FORMULA>
C22H16Cl2O4S

> <MASS>
447.333

> <MONOISOTOPIC_MASS>
446.01464

> <CHARGE>
0

> <SMILES>
C(CC(O)C1=CC=C(C=C1)Cl)(C2=C(O)C=3C(OC2=O)=CC=CC3)C=4SC(=CC4)Cl

> <INCHI>
InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2

> <INCHIKEY>
WRGOVNKNTPWHLZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
22619-35-8

$$$$