ethanedioic acid; 4-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine

Systemtic Name: ethanedioic acid; 4-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine Openeye Name: 4-[2-(4-isopropylphenyl)sulfonylethyl]pyridine; oxalic acid CAS Name: oxalic acid; 4-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine IUPAC Name: oxalic acid; 4-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine Traditional Name: oxalic acid; 4-(2-p-cumenylsulfonylethyl)pyridine Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=NC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=NC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NO2S.C2H2O4/c1-13(2)15-3-5-16(6-4-15)20(18,19)12-9-14-7-10-17-11-8-14;3-1(4)2(5)6/h3-8,10-11,13H,9,12H2,1-2H3;(H,3,4)(H,5,6)