6-chloranyl-2-methoxycarbonyl-1-benzothiophene-3-sulfonic acid

Systemtic Name: 6-chloranyl-2-methoxycarbonyl-1-benzothiophene-3-sulfonic acid Openeye Name: 6-chloro-2-methoxycarbonyl-benzothiophene-3-sulfonic acid CAS Name: 6-chloro-2-methoxycarbonyl-1-benzothiophene-3-sulfonic acid IUPAC Name: 6-chloro-2-methoxycarbonyl-1-benzothiophene-3-sulfonic acid Traditional Name: 2-carbomethoxy-6-chloro-benzothiophene-3-sulfonic acid Formula: C10H7ClO5S2 MolecularWeight: 306.74258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C10H7ClO5S2/c1-16-10(12)8-9(18(13,14)15)6-3-2-5(11)4-7(6)17-8/h2-4H,1H3,(H,13,14,15)