2-[(5-bromanylthiophen-2-yl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(5-bromo-2-thienyl)methylsulfonyl]acetic acid CAS Name: 2-[(5-bromo-2-thiophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(5-bromothiophen-2-yl)methylsulfonyl]acetic acid Traditional Name: 2-[(5-bromo-2-thienyl)methylsulfonyl]acetic acid Formula: C7H7BrO4S2 MolecularWeight: 299.16208

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CS(=O)(=O)CC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C7H7BrO4S2/c8-6-2-1-5(13-6)3-14(11,12)4-7(9)10/h1-2H,3-4H2,(H,9,10)