ethanedioic acid; 3-[3-(1H-imidazol-5-yl)propoxy]phenol

Systemtic Name: ethanedioic acid; 3-[3-(1H-imidazol-5-yl)propoxy]phenol Openeye Name: 3-[3-(1H-imidazol-5-yl)propoxy]phenol; oxalic acid CAS Name: 3-[3-(1H-imidazol-5-yl)propoxy]phenol; oxalic acid IUPAC Name: 3-[3-(1H-imidazol-5-yl)propoxy]phenol; oxalic acid Traditional Name: 3-[3-(1H-imidazol-5-yl)propoxy]phenol; oxalic acid Formula: C14H16N2O6 MolecularWeight: 308.28664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCC2=CN=CN2)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCCC2=CN=CN2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H14N2O2.C2H2O4/c15-11-4-1-5-12(7-11)16-6-2-3-10-8-13-9-14-10;3-1(4)2(5)6/h1,4-5,7-9,15H,2-3,6H2,(H,13,14);(H,3,4)(H,5,6)