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

Systemtic Name: 2,2-bis(2-hydroxyphenyl)ethanoate; ethane-1,2-diamine; iron(3+) Openeye Name: ferric; 2,2-bis(2-hydroxyphenyl)acetate; ethane-1,2-diamine CAS Name: 2,2-bis(2-hydroxyphenyl)acetate; ethane-1,2-diamine; iron(3+) IUPAC Name: 2,2-bis(2-hydroxyphenyl)acetate; ethane-1,2-diamine; iron(3+) Traditional Name: ferric; 2-aminoethylamine; 2,2-bis(2-hydroxyphenyl)acetate Formula: C44H41FeN2O12 MolecularWeight: 845.64754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC=CC=C2O)C(=O)[O-])O.C1=CC=C(C(=C1)C(C2=CC=CC=C2O)C(=O)[O-])O.C1=CC=C(C(=C1)C(C2=CC=CC=C2O)C(=O)[O-])O.C(CN)N.[Fe+3]

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC=CC=C2O)C(=O)[O-])O.C1=CC=C(C(=C1)C(C2=CC=CC=C2O)C(=O)[O-])O.C1=CC=C(C(=C1)C(C2=CC=CC=C2O)C(=O)[O-])O.C(CN)N.[Fe+3]

InChI

InChI=1S/3C14H12O4.C2H8N2.Fe/c3*15-11-7-3-1-5-9(11)13(14(17)18)10-6-2-4-8-12(10)16;3-1-2-4;/h3*1-8,13,15-16H,(H,17,18);1-4H2;/q;;;;+3/p-3