2-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfanylethyl]pyridine; ethanedioic acid

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-fluoranyl-phenyl)sulfanylethyl]pyridine; ethanedioic acid Openeye Name: 2-[2-(3,5-ditert-butyl-4-fluoro-phenyl)sulfanylethyl]pyridine; oxalic acid CAS Name: 2-[2-[(3,5-ditert-butyl-4-fluorophenyl)thio]ethyl]pyridine; oxalic acid IUPAC Name: 2-[2-(3,5-ditert-butyl-4-fluorophenyl)sulfanylethyl]pyridine; oxalic acid Traditional Name: 2-[2-[(3,5-ditert-butyl-4-fluoro-phenyl)thio]ethyl]pyridine; oxalic acid Formula: C23H30FNO4S MolecularWeight: 435.552003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1F)C(C)(C)C)SCCC2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1F)C(C)(C)C)SCCC2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28FNS.C2H2O4/c1-20(2,3)17-13-16(14-18(19(17)22)21(4,5)6)24-12-10-15-9-7-8-11-23-15;3-1(4)2(5)6/h7-9,11,13-14H,10,12H2,1-6H3;(H,3,4)(H,5,6)