2-[bis(2-carboxylatophenyl)amino]benzoate; iron(2+); triethylazanium

Systemtic Name: 2-[bis(2-carboxylatophenyl)amino]benzoate; iron(2+); triethylazanium Openeye Name: diferrous; 2-(2-carboxylato-N-(2-carboxylatophenyl)anilino)benzoate; triethylammonium CAS Name: 2-(2-carboxylato-N-(2-carboxylatophenyl)anilino)benzoate; iron(2+); triethylammonium IUPAC Name: 2-(2-carboxylato-N-(2-carboxylatophenyl)anilino)benzoate; iron(2+); triethylazanium Traditional Name: diferrous; 2-(2-carboxylato-N-(2-carboxylatophenyl)anilino)benzoate; triethylammonium Formula: C54H56Fe2N4O12 MolecularWeight: 1064.73204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC=C(C(=C1)C(=O)[O-])N(C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])N(C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3C(=O)[O-].[Fe+2].[Fe+2]

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC=C(C(=C1)C(=O)[O-])N(C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])N(C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3C(=O)[O-].[Fe+2].[Fe+2]

InChI

InChI=1S/2C21H15NO6.2C6H15N.2Fe/c2*23-19(24)13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20(25)26)18-12-6-3-9-15(18)21(27)28;2*1-4-7(5-2)6-3;;/h2*1-12H,(H,23,24)(H,25,26)(H,27,28);2*4-6H2,1-3H3;;/q;;;;2*+2/p-4