2-[2-(3,5-ditert-butylphenyl)sulfanylethyl]pyridine; ethanedioic acid

Systemtic Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylethyl]pyridine; ethanedioic acid Openeye Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylethyl]pyridine; oxalic acid CAS Name: 2-[2-[(3,5-ditert-butylphenyl)thio]ethyl]pyridine; oxalic acid IUPAC Name: 2-[2-(3,5-ditert-butylphenyl)sulfanylethyl]pyridine; oxalic acid Traditional Name: 2-[2-[(3,5-ditert-butylphenyl)thio]ethyl]pyridine; oxalic acid Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NS.C2H2O4/c1-20(2,3)16-13-17(21(4,5)6)15-19(14-16)23-12-10-18-9-7-8-11-22-18;3-1(4)2(5)6/h7-9,11,13-15H,10,12H2,1-6H3;(H,3,4)(H,5,6)