sodium; ethane-1,2-diamine; 2-(2-hydroxyphenyl)ethanoate; iron(3+)

Systemtic Name: sodium; ethane-1,2-diamine; 2-(2-hydroxyphenyl)ethanoate; iron(3+) Openeye Name: ferric; sodium; ethane-1,2-diamine; 2-(2-hydroxyphenyl)acetate CAS Name: sodium; ethane-1,2-diamine; 2-(2-hydroxyphenyl)acetate; iron(3+) IUPAC Name: sodium; ethane-1,2-diamine; 2-(2-hydroxyphenyl)acetate; iron(3+) Traditional Name: ferric; sodium; 2-aminoethylamine; 2-(2-hydroxyphenyl)acetate Formula: C36H44FeN4NaO12 MolecularWeight: 803.58893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)[O-])O.C1=CC=C(C(=C1)CC(=O)[O-])O.C1=CC=C(C(=C1)CC(=O)[O-])O.C1=CC=C(C(=C1)CC(=O)[O-])O.C(CN)N.C(CN)N.[Na+].[Fe+3]

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)[O-])O.C1=CC=C(C(=C1)CC(=O)[O-])O.C1=CC=C(C(=C1)CC(=O)[O-])O.C1=CC=C(C(=C1)CC(=O)[O-])O.C(CN)N.C(CN)N.[Na+].[Fe+3]

InChI

InChI=1S/4C8H8O3.2C2H8N2.Fe.Na/c4*9-7-4-2-1-3-6(7)5-8(10)11;2*3-1-2-4;;/h4*1-4,9H,5H2,(H,10,11);2*1-4H2;;/q;;;;;;+3;+1/p-4