ethanedioic acid; 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanol Openeye Name: oxalic acid; 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanol CAS Name: oxalic acid; 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanol IUPAC Name: oxalic acid; 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanol Traditional Name: oxalic acid; 2-[4-(2,3,6-trimethylphenoxy)butylamino]ethanol Formula: C17H27NO6 MolecularWeight: 341.39938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCCCNCCO)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCCCNCCO)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H25NO2.C2H2O4/c1-12-6-7-13(2)15(14(12)3)18-11-5-4-8-16-9-10-17;3-1(4)2(5)6/h6-7,16-17H,4-5,8-11H2,1-3H3;(H,3,4)(H,5,6)