carbon monoxide; iron; (2S,3S,6E,8E)-3-oxidanyl-2-phenylmethoxy-deca-6,8-dien-5-one

Systemtic Name: carbon monoxide; iron; (2S,3S,6E,8E)-3-oxidanyl-2-phenylmethoxy-deca-6,8-dien-5-one Openeye Name: (2S,3S,6E,8E)-2-benzyloxy-3-hydroxy-deca-6,8-dien-5-one; carbon monoxide; iron CAS Name: carbon monoxide; (2S,3S,6E,8E)-3-hydroxy-2-phenylmethoxy-5-deca-6,8-dienone; iron IUPAC Name: carbon monoxide; (2S,3S,6E,8E)-3-hydroxy-2-phenylmethoxydeca-6,8-dien-5-one; iron Traditional Name: (2S,3S,6E,8E)-2-benzoxy-3-hydroxy-deca-6,8-dien-5-one; carbon monoxide; iron Formula: C20H22FeO6 MolecularWeight: 414.23008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3.3CO.Fe/c1-3-4-6-11-16(18)12-17(19)14(2)20-13-15-9-7-5-8-10-15;3*1-2;/h3-11,14,17,19H,12-13H2,1-2H3;;;;/b4-3+,11-6+;;;;/t14-,17-;;;;/m0..../s1