carbon monoxide; iron; methyl (2E,4E,8S,9S)-8-oxidanyl-6-oxidanylidene-9-phenylmethoxy-deca-2,4-dienoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4E,8S,9S)-8-oxidanyl-6-oxidanylidene-9-phenylmethoxy-deca-2,4-dienoate Openeye Name: carbon monoxide; iron; methyl (2E,4E,8S,9S)-9-benzyloxy-8-hydroxy-6-oxo-deca-2,4-dienoate CAS Name: carbon monoxide; (2E,4E,8S,9S)-8-hydroxy-6-oxo-9-phenylmethoxydeca-2,4-dienoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl (2E,4E,8S,9S)-8-hydroxy-6-oxo-9-phenylmethoxydeca-2,4-dienoate Traditional Name: (2E,4E,8S,9S)-9-benzoxy-8-hydroxy-6-keto-deca-2,4-dienoic acid methyl ester; carbon monoxide; iron Formula: C21H22FeO8 MolecularWeight: 458.23958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)C=CC=CC(=O)OC)O)OCC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C[C@@H]([C@H](CC(=O)/C=C/C=C/C(=O)OC)O)OCC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H22O5.3CO.Fe/c1-14(23-13-15-8-4-3-5-9-15)17(20)12-16(19)10-6-7-11-18(21)22-2;3*1-2;/h3-11,14,17,20H,12-13H2,1-2H3;;;;/b10-6+,11-7+;;;;/t14-,17-;;;;/m0..../s1