5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid; potassium

Systemtic Name: 5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid; potassium Openeye Name: 5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid; potassium CAS Name: 5-tert-butyl-2-mercaptobenzene-1,3-dicarboxylic acid; potassium IUPAC Name: 5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid; potassium Traditional Name: 5-tert-butyl-2-mercapto-isophthalic acid; potassium Formula: C12H14KO4S MolecularWeight: 293.40046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)S)C(=O)O.[K]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)S)C(=O)O.[K]

InChI

InChI=1S/C12H14O4S.K/c1-12(2,3)6-4-7(10(13)14)9(17)8(5-6)11(15)16;/h4-5,17H,1-3H3,(H,13,14)(H,15,16);