5-chloranyl-3-methyl-1-benzothiophene-2-sulfonic acid

Systemtic Name: 5-chloranyl-3-methyl-1-benzothiophene-2-sulfonic acid Openeye Name: 5-chloro-3-methyl-benzothiophene-2-sulfonic acid CAS Name: 5-chloro-3-methyl-1-benzothiophene-2-sulfonic acid IUPAC Name: 5-chloro-3-methyl-1-benzothiophene-2-sulfonic acid Traditional Name: 5-chloro-3-methyl-benzothiophene-2-sulfonic acid Formula: C9H7ClO3S2 MolecularWeight: 262.73308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C9H7ClO3S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H,11,12,13)