5-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2-methoxy-benzoic acid Openeye Name: 5-[(5-bromo-2-thienyl)methylsulfonyl]-2-methoxy-benzoic acid CAS Name: 5-[(5-bromo-2-thiophenyl)methylsulfonyl]-2-methoxybenzoic acid IUPAC Name: 5-[(5-bromothiophen-2-yl)methylsulfonyl]-2-methoxybenzoic acid Traditional Name: 5-[(5-bromo-2-thienyl)methylsulfonyl]-2-methoxy-benzoic acid Formula: C13H11BrO5S2 MolecularWeight: 391.25744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H11BrO5S2/c1-19-11-4-3-9(6-10(11)13(15)16)21(17,18)7-8-2-5-12(14)20-8/h2-6H,7H2,1H3,(H,15,16)