carbon monoxide; iron; methyl N-[(2S,3E)-1-phenylhexa-3,5-dien-2-yl]-N-(phenylmethyl)carbamate

Systemtic Name: carbon monoxide; iron; methyl N-[(2S,3E)-1-phenylhexa-3,5-dien-2-yl]-N-(phenylmethyl)carbamate Openeye Name: carbon monoxide; iron; methyl N-benzyl-N-[(1S,2E)-1-benzylpenta-2,4-dienyl]carbamate CAS Name: carbon monoxide; iron; N-[(2S,3E)-1-phenylhexa-3,5-dien-2-yl]-N-(phenylmethyl)carbamic acid methyl ester IUPAC Name: carbon monoxide; iron; methyl N-benzyl-N-[(2S,3E)-1-phenylhexa-3,5-dien-2-yl]carbamate Traditional Name: N-benzyl-N-[(1S,2E)-1-benzylpenta-2,4-dienyl]carbamic acid methyl ester; carbon monoxide; iron Formula: C24H23FeNO5 MolecularWeight: 461.28812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC=CC=C1)C(CC2=CC=CC=C2)C=CC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC(=O)N(CC1=CC=CC=C1)[C@@H](CC2=CC=CC=C2)/C=C/C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C21H23NO2.3CO.Fe/c1-3-4-15-20(16-18-11-7-5-8-12-18)22(21(23)24-2)17-19-13-9-6-10-14-19;3*1-2;/h3-15,20H,1,16-17H2,2H3;;;;/b15-4+;;;;/t20-;;;;/m1..../s1