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

Systemtic Name: 5-tert-butyl-2-methylsulfinyl-benzene-1,3-dicarboxylic acid Openeye Name: 5-tert-butyl-2-methylsulfinyl-benzene-1,3-dicarboxylic acid CAS Name: 5-tert-butyl-2-methylsulfinylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-tert-butyl-2-methylsulfinylbenzene-1,3-dicarboxylic acid Traditional Name: 5-tert-butyl-2-methylsulfinyl-isophthalic acid Formula: C13H16O5S MolecularWeight: 284.32814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5S/c1-13(2,3)7-5-8(11(14)15)10(19(4)18)9(6-7)12(16)17/h5-6H,1-4H3,(H,14,15)(H,16,17)