5-tert-butyl-3-oxidanylidene-2,1-benzoxathiole-7-carboxylic acid

Systemtic Name: 5-tert-butyl-3-oxidanylidene-2,1-benzoxathiole-7-carboxylic acid Openeye Name: 5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid CAS Name: 5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid IUPAC Name: 5-tert-butyl-3-oxo-2,1-benzoxathiole-7-carboxylic acid Traditional Name: 5-tert-butyl-3-keto-2,1-benzoxathiole-7-carboxylic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(=O)OS2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(=O)OS2)C(=O)O

InChI

InChI=1S/C12H12O4S/c1-12(2,3)6-4-7(10(13)14)9-8(5-6)11(15)16-17-9/h4-5H,1-3H3,(H,13,14)