2-(2-chlorophenyl)azepane; ethanedioic acid

Systemtic Name: 2-(2-chlorophenyl)azepane; ethanedioic acid Openeye Name: 2-(2-chlorophenyl)azepane; oxalic acid CAS Name: 2-(2-chlorophenyl)azepane; oxalic acid IUPAC Name: 2-(2-chlorophenyl)azepane; oxalic acid Traditional Name: 2-(2-chlorophenyl)azepane; oxalic acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(NCC1)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16ClN.C2H2O4/c13-11-7-4-3-6-10(11)12-8-2-1-5-9-14-12;3-1(4)2(5)6/h3-4,6-7,12,14H,1-2,5,8-9H2;(H,3,4)(H,5,6)