bis(1H-imidazol-5-yl)-phenyl-methanol hydrate

Systemtic Name: bis(1H-imidazol-5-yl)-phenyl-methanol hydrate Openeye Name: bis(1H-imidazol-5-yl)-phenyl-methanol hydrate CAS Name: bis(1H-imidazol-5-yl)-phenylmethanol hydrate IUPAC Name: bis(1H-imidazol-5-yl)-phenylmethanol hydrate Traditional Name: bis(1H-imidazol-5-yl)-phenyl-methanol hydrate Formula: C13H14N4O2 MolecularWeight: 258.27586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CN=CN2)(C3=CN=CN3)O.O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CN=CN2)(C3=CN=CN3)O.O

InChI

InChI=1S/C13H12N4O.H2O/c18-13(11-6-14-8-16-11,12-7-15-9-17-12)10-4-2-1-3-5-10;/h1-9,18H,(H,14,16)(H,15,17);1H2