carbon monoxide; iron; (2E,4E)-1-[(2S)-2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]hexa-2,4-dien-1-one

Systemtic Name: carbon monoxide; iron; (2E,4E)-1-[(2S)-2-[oxidanyl(diphenyl)methyl]pyrrolidin-1-yl]hexa-2,4-dien-1-one Openeye Name: carbon monoxide; (2E,4E)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]hexa-2,4-dien-1-one; iron CAS Name: carbon monoxide; (2E,4E)-1-[(2S)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl]-1-hexa-2,4-dienone; iron IUPAC Name: carbon monoxide; (2E,4E)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]hexa-2,4-dien-1-one; iron Traditional Name: carbon monoxide; (2E,4E)-1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidino]hexa-2,4-dien-1-one; iron Formula: C26H25FeNO5 MolecularWeight: 487.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C23H25NO2.3CO.Fe/c1-2-3-6-17-22(25)24-18-11-16-21(24)23(26,19-12-7-4-8-13-19)20-14-9-5-10-15-20;3*1-2;/h2-10,12-15,17,21,26H,11,16,18H2,1H3;;;;/b3-2+,17-6+;;;;/t21-;;;;/m0..../s1