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

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)methylsulfonyl]-2-methyl-benzoic acid Openeye Name: 5-[(5-bromo-2-thienyl)methylsulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(5-bromo-2-thiophenyl)methylsulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[(5-bromothiophen-2-yl)methylsulfonyl]-2-methylbenzoic acid Traditional Name: 5-[(5-bromo-2-thienyl)methylsulfonyl]-2-methyl-benzoic acid Formula: C13H11BrO4S2 MolecularWeight: 375.25804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C13H11BrO4S2/c1-8-2-4-10(6-11(8)13(15)16)20(17,18)7-9-3-5-12(14)19-9/h2-6H,7H2,1H3,(H,15,16)