1-[3-(2-chloranyl-6-prop-2-enyl-phenoxy)propyl]azepane; ethanedioic acid

Systemtic Name: 1-[3-(2-chloranyl-6-prop-2-enyl-phenoxy)propyl]azepane; ethanedioic acid Openeye Name: 1-[3-(2-allyl-6-chloro-phenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(2-allyl-6-chloro-phenoxy)propyl]azepane; oxalic acid Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC=C1)Cl)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCC1=C(C(=CC=C1)Cl)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26ClNO.C2H2O4/c1-2-9-16-10-7-11-17(19)18(16)21-15-8-14-20-12-5-3-4-6-13-20;3-1(4)2(5)6/h2,7,10-11H,1,3-6,8-9,12-15H2;(H,3,4)(H,5,6)