ethanedioic acid; N-[2-(4-methylsulfinylphenoxy)ethyl]propan-2-amine

Systemtic Name: ethanedioic acid; N-[2-(4-methylsulfinylphenoxy)ethyl]propan-2-amine Openeye Name: N-[2-(4-methylsulfinylphenoxy)ethyl]propan-2-amine; oxalic acid CAS Name: N-[2-(4-methylsulfinylphenoxy)ethyl]-2-propanamine; oxalic acid IUPAC Name: N-[2-(4-methylsulfinylphenoxy)ethyl]propan-2-amine; oxalic acid Traditional Name: isopropyl-[2-(4-methylsulfinylphenoxy)ethyl]amine; oxalic acid Formula: C14H21NO6S MolecularWeight: 331.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCOC1=CC=C(C=C1)S(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCCOC1=CC=C(C=C1)S(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19NO2S.C2H2O4/c1-10(2)13-8-9-15-11-4-6-12(7-5-11)16(3)14;3-1(4)2(5)6/h4-7,10,13H,8-9H2,1-3H3;(H,3,4)(H,5,6)