ethanedioic acid; 1-[4-(3-phenoxyphenoxy)butyl]-1,2,4-triazole

Systemtic Name: ethanedioic acid; 1-[4-(3-phenoxyphenoxy)butyl]-1,2,4-triazole Openeye Name: oxalic acid; 1-[4-(3-phenoxyphenoxy)butyl]-1,2,4-triazole CAS Name: oxalic acid; 1-[4-(3-phenoxyphenoxy)butyl]-1,2,4-triazole IUPAC Name: oxalic acid; 1-[4-(3-phenoxyphenoxy)butyl]-1,2,4-triazole Traditional Name: oxalic acid; 1-[4-(3-phenoxyphenoxy)butyl]-1,2,4-triazole Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCCCN3C=NC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCCCN3C=NC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3O2.C2H2O4/c1-2-7-16(8-3-1)23-18-10-6-9-17(13-18)22-12-5-4-11-21-15-19-14-20-21;3-1(4)2(5)6/h1-3,6-10,13-15H,4-5,11-12H2;(H,3,4)(H,5,6)