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

Systemtic Name: 5-[(5-ethylthiophen-2-yl)methylsulfonyl]-2-methyl-benzoic acid Openeye Name: 5-[(5-ethyl-2-thienyl)methylsulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(5-ethyl-2-thiophenyl)methylsulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[(5-ethylthiophen-2-yl)methylsulfonyl]-2-methylbenzoic acid Traditional Name: 5-[(5-ethyl-2-thienyl)methylsulfonyl]-2-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=CC(=C(C=C2)C)C(=O)O

Isomeric SMILES

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

InChI

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