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

Systemtic Name: 2-[(5-ethylthiophen-2-yl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(5-ethyl-2-thienyl)methylsulfonyl]acetic acid CAS Name: 2-[(5-ethyl-2-thiophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(5-ethylthiophen-2-yl)methylsulfonyl]acetic acid Traditional Name: 2-[(5-ethyl-2-thienyl)methylsulfonyl]acetic acid Formula: C9H12O4S2 MolecularWeight: 248.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CS(=O)(=O)CC(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H12O4S2/c1-2-7-3-4-8(14-7)5-15(12,13)6-9(10)11/h3-4H,2,5-6H2,1H3,(H,10,11)