5-chloranyl-3,3,8-trimethyl-1,1,4-tris(oxidanylidene)-2H-thiochromene-6-carboxylic acid

Systemtic Name: 5-chloranyl-3,3,8-trimethyl-1,1,4-tris(oxidanylidene)-2H-thiochromene-6-carboxylic acid Openeye Name: 5-chloro-3,3,8-trimethyl-1,1,4-trioxo-2H-thiochromene-6-carboxylic acid CAS Name: 5-chloro-3,3,8-trimethyl-1,1,4-trioxo-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 5-chloro-3,3,8-trimethyl-1,1,4-trioxo-2H-thiochromene-6-carboxylic acid Traditional Name: 5-chloro-1,1,4-triketo-3,3,8-trimethyl-2H-thiochromene-6-carboxylic acid Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)O)Cl)C(=O)C(CS2(=O)=O)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)O)Cl)C(=O)C(CS2(=O)=O)(C)C

InChI

InChI=1S/C13H13ClO5S/c1-6-4-7(12(16)17)9(14)8-10(6)20(18,19)5-13(2,3)11(8)15/h4H,5H2,1-3H3,(H,16,17)