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

Systemtic Name: 6-methyl-3-sulfo-1-benzothiophene-2-carboxylic acid Openeye Name: 6-methyl-3-sulfo-benzothiophene-2-carboxylic acid CAS Name: 6-methyl-3-sulfo-1-benzothiophene-2-carboxylic acid IUPAC Name: 6-methyl-3-sulfo-1-benzothiophene-2-carboxylic acid Traditional Name: 6-methyl-3-sulfo-benzothiophene-2-carboxylic acid Formula: C10H8O5S2 MolecularWeight: 272.29752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H8O5S2/c1-5-2-3-6-7(4-5)16-8(10(11)12)9(6)17(13,14)15/h2-4H,1H3,(H,11,12)(H,13,14,15)