4-ethyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-ethyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(2-thenylsulfonyl)benzoic acid Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

InChI

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