5-methyl-1-benzothiophene-2,3-dicarboxylic acid

Systemtic Name: 5-methyl-1-benzothiophene-2,3-dicarboxylic acid Openeye Name: 5-methylbenzothiophene-2,3-dicarboxylic acid CAS Name: 5-methyl-1-benzothiophene-2,3-dicarboxylic acid IUPAC Name: 5-methyl-1-benzothiophene-2,3-dicarboxylic acid Traditional Name: 5-methylbenzothiophene-2,3-dicarboxylic acid Formula: C11H8O4S MolecularWeight: 236.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C11H8O4S/c1-5-2-3-7-6(4-5)8(10(12)13)9(16-7)11(14)15/h2-4H,1H3,(H,12,13)(H,14,15)