ethanedioic acid; 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepane Openeye Name: oxalic acid; 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepane CAS Name: oxalic acid; 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepane IUPAC Name: oxalic acid; 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepane Traditional Name: oxalic acid; 1-[2-(2,3,6-trimethylphenoxy)ethyl]azepane Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCN2CCCCCC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCN2CCCCCC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27NO.C2H2O4/c1-14-8-9-15(2)17(16(14)3)19-13-12-18-10-6-4-5-7-11-18;3-1(4)2(5)6/h8-9H,4-7,10-13H2,1-3H3;(H,3,4)(H,5,6)