3-[(5-ethylthiophen-2-yl)methylsulfonyl]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-ethylthiophen-2-yl)methylsulfonyl]-4-methyl-benzoic acid Openeye Name: 3-[(5-ethyl-2-thienyl)methylsulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(5-ethyl-2-thiophenyl)methylsulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[(5-ethylthiophen-2-yl)methylsulfonyl]-4-methylbenzoic acid Traditional Name: 3-[(5-ethyl-2-thienyl)methylsulfonyl]-4-methyl-benzoic acid Formula: C15H16O4S2 MolecularWeight: 324.41514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O4S2/c1-3-12-6-7-13(20-12)9-21(18,19)14-8-11(15(16)17)5-4-10(14)2/h4-8H,3,9H2,1-2H3,(H,16,17)