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

Systemtic Name: 2-methoxycarbonyl-6-methyl-1-benzothiophene-3-sulfonic acid Openeye Name: 2-methoxycarbonyl-6-methyl-benzothiophene-3-sulfonic acid CAS Name: 2-methoxycarbonyl-6-methyl-1-benzothiophene-3-sulfonic acid IUPAC Name: 2-methoxycarbonyl-6-methyl-1-benzothiophene-3-sulfonic acid Traditional Name: 2-carbomethoxy-6-methyl-benzothiophene-3-sulfonic acid Formula: C11H10O5S2 MolecularWeight: 286.3241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O5S2/c1-6-3-4-7-8(5-6)17-9(11(12)16-2)10(7)18(13,14)15/h3-5H,1-2H3,(H,13,14,15)