1-[4-(4-chloranylphenoxy)but-2-ynyl]azepane; ethanedioic acid

Systemtic Name: 1-[4-(4-chloranylphenoxy)but-2-ynyl]azepane; ethanedioic acid Openeye Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]azepane; oxalic acid CAS Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]azepane; oxalic acid IUPAC Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]azepane; oxalic acid Traditional Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]azepane; oxalic acid Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CCOC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CC#CCOC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20ClNO.C2H2O4/c17-15-7-9-16(10-8-15)19-14-6-5-13-18-11-3-1-2-4-12-18;3-1(4)2(5)6/h7-10H,1-4,11-14H2;(H,3,4)(H,5,6)