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

Systemtic Name: 5-bromanyl-1-benzothiophene-2,3-dicarboxylic acid Openeye Name: 5-bromobenzothiophene-2,3-dicarboxylic acid CAS Name: 5-bromo-1-benzothiophene-2,3-dicarboxylic acid IUPAC Name: 5-bromo-1-benzothiophene-2,3-dicarboxylic acid Traditional Name: 5-bromobenzothiophene-2,3-dicarboxylic acid Formula: C10H5BrO4S MolecularWeight: 301.1133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=C(S2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=C(S2)C(=O)O)C(=O)O

InChI

InChI=1S/C10H5BrO4S/c11-4-1-2-6-5(3-4)7(9(12)13)8(16-6)10(14)15/h1-3H,(H,12,13)(H,14,15)