4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid Openeye Name: 4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid CAS Name: 4-(ethylthio)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 4-ethylsulfanyl-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid Traditional Name: 4-(ethylthio)-2,6-bis(trifluoromethyl)dinicotinic acid Formula: C11H7F6NO4S MolecularWeight: 363.232999

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NC(=C1C(=O)O)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CCSC1=C(C(=NC(=C1C(=O)O)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H7F6NO4S/c1-2-23-5-3(8(19)20)6(10(12,13)14)18-7(11(15,16)17)4(5)9(21)22/h2H2,1H3,(H,19,20)(H,21,22)