1-oxidanylidene-8-propan-2-yloxy-isothiochromene-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-8-propan-2-yloxy-isothiochromene-3-carboxylic acid Openeye Name: 8-isopropoxy-1-oxo-isothiochromene-3-carboxylic acid CAS Name: 1-oxo-8-propan-2-yloxy-2-benzothiopyran-3-carboxylic acid IUPAC Name: 1-oxo-8-propan-2-yloxyisothiochromene-3-carboxylic acid Traditional Name: 8-isopropoxy-1-keto-isothiochromene-3-carboxylic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC2=C1C(=O)SC(=C2)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC2=C1C(=O)SC(=C2)C(=O)O

InChI

InChI=1S/C13H12O4S/c1-7(2)17-9-5-3-4-8-6-10(12(14)15)18-13(16)11(8)9/h3-7H,1-2H3,(H,14,15)