5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonic acid

Systemtic Name: 5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonic acid Openeye Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]thiophene-2-sulfonic acid CAS Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thiophenesulfonic acid IUPAC Name: 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophene-2-sulfonic acid Traditional Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]thiophene-2-sulfonic acid Formula: C11H7ClF3NO3S2 MolecularWeight: 357.75639

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)S(=O)(=O)O)CC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=C(SC(=C1)S(=O)(=O)O)CC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C11H7ClF3NO3S2/c12-8-3-6(11(13,14)15)5-16-9(8)4-7-1-2-10(20-7)21(17,18)19/h1-3,5H,4H2,(H,17,18,19)