3-sulfo-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-sulfo-1-benzothiophene-2-carboxylic acid Openeye Name: 3-sulfobenzothiophene-2-carboxylic acid CAS Name: 3-sulfo-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-sulfo-1-benzothiophene-2-carboxylic acid Traditional Name: 3-sulfobenzothiophene-2-carboxylic acid Formula: C9H6O5S2 MolecularWeight: 258.27094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H6O5S2/c10-9(11)7-8(16(12,13)14)5-3-1-2-4-6(5)15-7/h1-4H,(H,10,11)(H,12,13,14)