3-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid Openeye Name: 3-[(5-ethyl-2-thienyl)methylsulfonyl]benzoic acid CAS Name: 3-[(5-ethyl-2-thiophenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid Traditional Name: 3-[(5-ethyl-2-thienyl)methylsulfonyl]benzoic acid Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H14O4S2/c1-2-11-6-7-12(19-11)9-20(17,18)13-5-3-4-10(8-13)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)