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

Systemtic Name: iron(2+); methylsulfinylmethane; (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; hydrate Openeye Name: ferrous; methylsulfinylmethane; (Z)-2-nitroso-N-oxido-1,2-diphenyl-ethenamine; hydrate CAS Name: iron(2+); methylsulfinylmethane; (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; hydrate IUPAC Name: iron(2+); methylsulfinylmethane; (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; hydrate Traditional Name: ferrous; methylsulfinylmethane; [(Z)-2-nitroso-1,2-diphenyl-vinyl]-oxido-amine; hydrate Formula: C32H36FeN4O7S2 MolecularWeight: 708.62584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C.CS(=O)C.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

CS(=O)C.CS(=O)C.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/2C14H11N2O2.2C2H6OS.Fe.H2O/c2*17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12;2*1-4(2)3;;/h2*1-10,15H;2*1-2H3;;1H2/q2*-1;;;+2;/b2*14-13-;;;;