1-[3-(2-chloranyl-4,6-dimethyl-phenoxy)propyl]azepane; ethanedioic acid

Systemtic Name: 1-[3-(2-chloranyl-4,6-dimethyl-phenoxy)propyl]azepane; ethanedioic acid Openeye Name: 1-[3-(2-chloro-4,6-dimethyl-phenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(2-chloro-4,6-dimethyl-phenoxy)propyl]azepane; oxalic acid Formula: C19H28ClNO5 MolecularWeight: 385.88232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCCN2CCCCCC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCCN2CCCCCC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26ClNO.C2H2O4/c1-14-12-15(2)17(16(18)13-14)20-11-7-10-19-8-5-3-4-6-9-19;3-1(4)2(5)6/h12-13H,3-11H2,1-2H3;(H,3,4)(H,5,6)