(2E,4E,6R)-7-(4-dimethylaminophenyl)-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide; iron

Systemtic Name: (2E,4E,6R)-7-(4-dimethylaminophenyl)-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide; iron Openeye Name: (2E,4E,6R)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-hepta-2,4-dienehydroxamic acid; iron CAS Name: (2E,4E,6R)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide; iron IUPAC Name: (2E,4E,6R)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide; iron Traditional Name: (2E,4E,6R)-7-(4-dimethylaminophenyl)-7-keto-4,6-dimethyl-hepta-2,4-dienehydroxamic acid; iron Formula: C51H66FeN6O9 MolecularWeight: 962.94954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C.[Fe]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)N(C)C)/C=C(/C=C/C(=O)NO)\C.C[C@@H](C(=O)C1=CC=C(C=C1)N(C)C)/C=C(/C=C/C(=O)NO)\C.C[C@@H](C(=O)C1=CC=C(C=C1)N(C)C)/C=C(/C=C/C(=O)NO)\C.[Fe]

InChI

InChI=1S/3C17H22N2O3.Fe/c3*1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4;/h3*5-11,13,22H,1-4H3,(H,18,20);/b3*10-5+,12-11+;/t3*13-;/m111./s1