iron(2+); (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; hydrate

Systemtic Name: iron(2+); (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; hydrate Openeye Name: ferrous (Z)-2-nitroso-N-oxido-1,2-diphenyl-ethenamine hydrate CAS Name: iron(2+); (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; hydrate IUPAC Name: iron(2+); (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; hydrate Traditional Name: ferrous [(Z)-2-nitroso-1,2-diphenyl-vinyl]-oxido-amine hydrate Formula: C28H24FeN4O5 MolecularWeight: 552.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)N=O)N[O-].C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)N=O)N[O-].O.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/N=O)\C2=CC=CC=C2)/N[O-].C1=CC=C(C=C1)/C(=C(/N=O)\C2=CC=CC=C2)/N[O-].O.[Fe+2]

InChI

InChI=1S/2C14H11N2O2.Fe.H2O/c2*17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12;;/h2*1-10,15H;;1H2/q2*-1;+2;/b2*14-13-;;