4,4,7-trimethylisothiochromene-1,3-dione

Systemtic Name: 4,4,7-trimethylisothiochromene-1,3-dione Openeye Name: 4,4,7-trimethylisothiochromane-1,3-dione CAS Name: 4,4,7-trimethyl-2-benzothiopyran-1,3-dione IUPAC Name: 4,4,7-trimethylisothiochromene-1,3-dione Traditional Name: 4,4,7-trimethylisothiochroman-1,3-quinone Formula: C12H12O2S MolecularWeight: 220.28748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C(=O)SC2=O)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(C(=O)SC2=O)(C)C

InChI

InChI=1S/C12H12O2S/c1-7-4-5-9-8(6-7)10(13)15-11(14)12(9,2)3/h4-6H,1-3H3