8-methyl-4-oxidanylidene-2,3-dihydrothiochromene-7-carboxylic acid

Systemtic Name: 8-methyl-4-oxidanylidene-2,3-dihydrothiochromene-7-carboxylic acid Openeye Name: 8-methyl-4-oxo-thiochromane-7-carboxylic acid CAS Name: 8-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-7-carboxylic acid IUPAC Name: 8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylic acid Traditional Name: 4-keto-8-methyl-thiochroman-7-carboxylic acid Formula: C11H10O3S MolecularWeight: 222.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SCCC2=O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1SCCC2=O)C(=O)O

InChI

InChI=1S/C11H10O3S/c1-6-7(11(13)14)2-3-8-9(12)4-5-15-10(6)8/h2-3H,4-5H2,1H3,(H,13,14)