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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)Cl)S(=O)(=O)O

InChI

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