8-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-isothiochromene-3-carboxylic acid

Systemtic Name: 8-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-isothiochromene-3-carboxylic acid Openeye Name: 8-tert-butoxy-1-oxo-isothiochromene-3-carboxylic acid CAS Name: 8-[(2-methylpropan-2-yl)oxy]-1-oxo-2-benzothiopyran-3-carboxylic acid IUPAC Name: 8-[(2-methylpropan-2-yl)oxy]-1-oxoisothiochromene-3-carboxylic acid Traditional Name: 8-tert-butoxy-1-keto-isothiochromene-3-carboxylic acid Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S/c1-14(2,3)18-9-6-4-5-8-7-10(12(15)16)19-13(17)11(8)9/h4-7H,1-3H3,(H,15,16)