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

Systemtic Name: 5-[2-(3,5-ditert-butylphenyl)sulfinylethyl]-2-methyl-pyridine; ethanedioic acid Openeye Name: 5-[2-(3,5-ditert-butylphenyl)sulfinylethyl]-2-methyl-pyridine; oxalic acid CAS Name: 5-[2-(3,5-ditert-butylphenyl)sulfinylethyl]-2-methylpyridine; oxalic acid IUPAC Name: 5-[2-(3,5-ditert-butylphenyl)sulfinylethyl]-2-methylpyridine; oxalic acid Traditional Name: 5-[2-(3,5-ditert-butylphenyl)sulfinylethyl]-2-methyl-pyridine; oxalic acid Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CCS(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC=C(C=C1)CCS(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31NOS.C2H2O4/c1-16-8-9-17(15-23-16)10-11-25(24)20-13-18(21(2,3)4)12-19(14-20)22(5,6)7;3-1(4)2(5)6/h8-9,12-15H,10-11H2,1-7H3;(H,3,4)(H,5,6)