8-chloranyl-5-methoxy-3,3-dimethyl-4-oxidanylidene-2H-thiochromene-6-carboxylic acid

Systemtic Name: 8-chloranyl-5-methoxy-3,3-dimethyl-4-oxidanylidene-2H-thiochromene-6-carboxylic acid Openeye Name: 8-chloro-5-methoxy-3,3-dimethyl-4-oxo-thiochromane-6-carboxylic acid CAS Name: 8-chloro-5-methoxy-3,3-dimethyl-4-oxo-2H-1-benzothiopyran-6-carboxylic acid IUPAC Name: 8-chloro-5-methoxy-3,3-dimethyl-4-oxo-2H-thiochromene-6-carboxylic acid Traditional Name: 8-chloro-4-keto-5-methoxy-3,3-dimethyl-thiochroman-6-carboxylic acid Formula: C13H13ClO4S MolecularWeight: 300.75792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C=C(C(=C2C1=O)OC)C(=O)O)Cl)C

Isomeric SMILES

CC1(CSC2=C(C=C(C(=C2C1=O)OC)C(=O)O)Cl)C

InChI

InChI=1S/C13H13ClO4S/c1-13(2)5-19-10-7(14)4-6(12(16)17)9(18-3)8(10)11(13)15/h4H,5H2,1-3H3,(H,16,17)