4-methyl-1-oxidanylidene-isothiochromene-3-carboxylic acid

Systemtic Name: 4-methyl-1-oxidanylidene-isothiochromene-3-carboxylic acid Openeye Name: 4-methyl-1-oxo-isothiochromene-3-carboxylic acid CAS Name: 4-methyl-1-oxo-2-benzothiopyran-3-carboxylic acid IUPAC Name: 4-methyl-1-oxoisothiochromene-3-carboxylic acid Traditional Name: 1-keto-4-methyl-isothiochromene-3-carboxylic acid Formula: C11H8O3S MolecularWeight: 220.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)C2=CC=CC=C12)C(=O)O

Isomeric SMILES

CC1=C(SC(=O)C2=CC=CC=C12)C(=O)O

InChI

InChI=1S/C11H8O3S/c1-6-7-4-2-3-5-8(7)11(14)15-9(6)10(12)13/h2-5H,1H3,(H,12,13)