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

Systemtic Name: 5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid Openeye Name: 5-tert-butyl-2-sulfanyl-benzene-1,3-dicarboxylic acid CAS Name: 5-tert-butyl-2-mercaptobenzene-1,3-dicarboxylic acid IUPAC Name: 5-tert-butyl-2-sulfanylbenzene-1,3-dicarboxylic acid Traditional Name: 5-tert-butyl-2-mercapto-isophthalic acid Formula: C12H14O4S MolecularWeight: 254.30216

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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

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)S)C(=O)O

InChI

InChI=1S/C12H14O4S/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)