carbon monoxide; iron; [[(2R,6S)-6-methyl-6-oxidanyl-octan-2-yl]-(phenylmethyl)amino]methanone

Systemtic Name: carbon monoxide; iron; [[(2R,6S)-6-methyl-6-oxidanyl-octan-2-yl]-(phenylmethyl)amino]methanone Openeye Name: [benzyl-[(1R,5S)-5-hydroxy-1,5-dimethyl-heptyl]amino]methanone; carbon monoxide; iron CAS Name: carbon monoxide; [[(2R,6S)-6-hydroxy-6-methyloctan-2-yl]-(phenylmethyl)amino]methanone; iron IUPAC Name: [benzyl-[(2R,6S)-6-hydroxy-6-methyloctan-2-yl]amino]methanone; carbon monoxide; iron Traditional Name: [benzyl-[(1R,5S)-5-hydroxy-1,5-dimethyl-heptyl]amino]methanone; carbon monoxide; iron Formula: C20H23FeNO5- MolecularWeight: 413.24532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)([CH][CH][CH]C(C)N(CC1=CC=CC=C1)[C-]=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC[C@](C)([CH][CH][CH][C@@H](C)N(CC1=CC=CC=C1)[C-]=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C17H23NO2.3CO.Fe/c1-4-17(3,20)12-8-9-15(2)18(14-19)13-16-10-6-5-7-11-16;3*1-2;/h5-12,15,20H,4,13H2,1-3H3;;;;/q-1;;;;/t15-,17-;;;;/m1..../s1