4-[(5-bromanylthiophen-2-yl)methylsulfonyl]benzoate

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methylsulfonyl]benzoate Openeye Name: 4-[(5-bromo-2-thienyl)methylsulfonyl]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)methylsulfonyl]benzoate IUPAC Name: 4-[(5-bromothiophen-2-yl)methylsulfonyl]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)methylsulfonyl]benzoate Formula: C12H8BrO4S2- MolecularWeight: 360.22352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)CC2=CC=C(S2)Br

InChI

InChI=1S/C12H9BrO4S2/c13-11-6-3-9(18-11)7-19(16,17)10-4-1-8(2-5-10)12(14)15/h1-6H,7H2,(H,14,15)/p-1