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3-[2-(3,5-ditert-butylphenyl)sulfinylethyl]pyridine; ethanedioic acid
3-[2-(3,5-ditert-butylphenyl)sulfinylethyl]pyridine; ethanedioic acid
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Canonical SMILES:
CC(C)(C)C1=CC(=CC(=C1)S(=O)CCC2=CN=CC=C2)C(C)(C)C.C(=O)(C(=O)O)O
Isomeric SMILES
CC(C)(C)C1=CC(=CC(=C1)S(=O)CCC2=CN=CC=C2)C(C)(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C21H29NOS.C2H2O4/c1-20(2,3)17-12-18(21(4,5)6)14-19(13-17)24(23)11-9-16-8-7-10-22-15-16;3-1(4)2(5)6/h7-8,10,12-15H,9,11H2,1-6H3;(H,3,4)(H,5,6)
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