carbon monoxide; ethyl (3S)-3-[(1R,2S)-2-phenylcyclohexyl]oxycyclohexane-1-carboxylate; iron

Systemtic Name: carbon monoxide; ethyl (3S)-3-[(1R,2S)-2-phenylcyclohexyl]oxycyclohexane-1-carboxylate; iron Openeye Name: carbon monoxide; ethyl (3S)-3-[(1R,2S)-2-phenylcyclohexoxy]cyclohexanecarboxylate; iron CAS Name: carbon monoxide; iron; (3S)-3-[(1R,2S)-2-phenylcyclohexyl]oxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: carbon monoxide; ethyl (3S)-3-[(1R,2S)-2-phenylcyclohexyl]oxycyclohexane-1-carboxylate; iron Traditional Name: carbon monoxide; iron; (3S)-3-[(1R,2S)-2-phenylcyclohexoxy]cyclohexanecarboxylic acid ethyl ester Formula: C24H26FeO6 MolecularWeight: 466.30464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[C]1CC([CH][CH][CH]1)OC2CCCCC2C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)[C]1C[C@H]([CH][CH][CH]1)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C21H26O3.3CO.Fe/c1-2-23-21(22)17-11-8-12-18(15-17)24-20-14-7-6-13-19(20)16-9-4-3-5-10-16;3*1-2;/h3-5,8-12,18-20H,2,6-7,13-15H2,1H3;;;;/t18-,19-,20+;;;;/m0..../s1