sodium; 4-(4-ethenylphenoxy)carbonyl-2-nitroso-phenolate; iron(2+)

Systemtic Name: sodium; 4-(4-ethenylphenoxy)carbonyl-2-nitroso-phenolate; iron(2+) Openeye Name: ferrous sodium 2-nitroso-4-(4-vinylphenoxy)carbonyl-phenolate CAS Name: sodium; 4-[(4-ethenylphenoxy)-oxomethyl]-2-nitrosophenolate; iron(2+) IUPAC Name: sodium; 4-(4-ethenylphenoxy)carbonyl-2-nitrosophenolate; iron(2+) Traditional Name: ferrous sodium 2-nitroso-4-(4-vinylphenoxy)carbonyl-phenolate Formula: C45H30FeN3NaO12 MolecularWeight: 883.56737

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[O-])N=O.C=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[O-])N=O.C=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[O-])N=O.[Na+].[Fe+2]

Isomeric SMILES

C=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[O-])N=O.C=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[O-])N=O.C=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[O-])N=O.[Na+].[Fe+2]

InChI

InChI=1S/3C15H11NO4.Fe.Na/c3*1-2-10-3-6-12(7-4-10)20-15(18)11-5-8-14(17)13(9-11)16-19;;/h3*2-9,17H,1H2;;/q;;;+2;+1/p-3