3-[(5-bromanylthiophen-2-yl)methylsulfonyl]propanoate

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylsulfonyl]propanoate Openeye Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]propanoate CAS Name: 3-[(5-bromo-2-thiophenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(5-bromothiophen-2-yl)methylsulfonyl]propanoate Traditional Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]propionate Formula: C8H8BrO4S2- MolecularWeight: 312.18072

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C1=C(SC(=C1)Br)CS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C8H9BrO4S2/c9-7-2-1-6(14-7)5-15(12,13)4-3-8(10)11/h1-2H,3-5H2,(H,10,11)/p-1