5-methylsulfanylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-methylsulfanylbenzene-1,3-dicarboxylic acid Openeye Name: 5-methylsulfanylbenzene-1,3-dicarboxylic acid CAS Name: 5-(methylthio)benzene-1,3-dicarboxylic acid IUPAC Name: 5-methylsulfanylbenzene-1,3-dicarboxylic acid Traditional Name: 5-(methylthio)isophthalic acid Formula: C9H8O4S MolecularWeight: 212.22242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H8O4S/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)