iron; N1,N3,N5-tris[3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propyl]benzene-1,3,5-tricarboxamide

Systemtic Name: iron; N1,N3,N5-tris[3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propyl]benzene-1,3,5-tricarboxamide Openeye Name: iron; N1,N3,N5-tris[3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propyl]benzene-1,3,5-tricarboxamide CAS Name: iron; N1,N3,N5-tris[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]benzene-1,3,5-tricarboxamide IUPAC Name: iron; 1-N,3-N,5-N-tris[3-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)propyl]benzene-1,3,5-tricarboxamide Traditional Name: iron; N1,N3,N5-tris[3-(3-hydroxy-4-keto-2-methyl-1-pyridyl)propyl]benzene-1,3,5-tricarboxamide Formula: C36H42FeN6O9 MolecularWeight: 758.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CCCNC(=O)C2=CC(=CC(=C2)C(=O)NCCCN3C=CC(=O)C(=C3C)O)C(=O)NCCCN4C=CC(=O)C(=C4C)O)O.[Fe]

Isomeric SMILES

CC1=C(C(=O)C=CN1CCCNC(=O)C2=CC(=CC(=C2)C(=O)NCCCN3C=CC(=O)C(=C3C)O)C(=O)NCCCN4C=CC(=O)C(=C4C)O)O.[Fe]

InChI

InChI=1S/C36H42N6O9.Fe/c1-22-31(46)28(43)7-16-40(22)13-4-10-37-34(49)25-19-26(35(50)38-11-5-14-41-17-8-29(44)32(47)23(41)2)21-27(20-25)36(51)39-12-6-15-42-18-9-30(45)33(48)24(42)3;/h7-9,16-21,46-48H,4-6,10-15H2,1-3H3,(H,37,49)(H,38,50)(H,39,51);