azanium; iron(3+); octadecanoate; 2-oxidanylbenzoate

Systemtic Name: azanium; iron(3+); octadecanoate; 2-oxidanylbenzoate Openeye Name: ammonium; ferric; 2-hydroxybenzoate; octadecanoate CAS Name: ammonium; 2-hydroxybenzoate; iron(3+); octadecanoate IUPAC Name: azanium; 2-hydroxybenzoate; iron(3+); octadecanoate Traditional Name: ammonium; ferric; salicylate; stearate Formula: C39H54FeNO11 MolecularWeight: 768.69116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[NH4+].[Fe+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.C1=CC=C(C(=C1)C(=O)[O-])O.[NH4+].[Fe+3]

InChI

InChI=1S/C18H36O2.3C7H6O3.Fe.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*8-6-4-2-1-3-5(6)7(9)10;;/h2-17H2,1H3,(H,19,20);3*1-4,8H,(H,9,10);;1H3/q;;;;+3;/p-3