carbon monoxide; iron(2+); (3S,9R)-3-oxidanyl-9-(oxidanylidenemethoxy)-1-phenylmethoxy-tetradecan-5-one

Systemtic Name: carbon monoxide; iron(2+); (3S,9R)-3-oxidanyl-9-(oxidanylidenemethoxy)-1-phenylmethoxy-tetradecan-5-one Openeye Name: ferrous; (3S,9R)-1-benzyloxy-3-hydroxy-9-(oxomethoxy)tetradecan-5-one; carbon monoxide CAS Name: carbon monoxide; (3S,9R)-3-hydroxy-9-(oxomethoxy)-1-phenylmethoxy-5-tetradecanone; iron(2+) IUPAC Name: carbon monoxide; (3S,9R)-3-hydroxy-9-(oxomethoxy)-1-phenylmethoxytetradecan-5-one; iron(2+) Traditional Name: ferrous; (3S,9R)-1-benzoxy-3-hydroxy-9-(ketomethoxy)tetradecan-5-one; carbon monoxide Formula: C25H33FeO8+ MolecularWeight: 517.36972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(=O)CC(CCOCC1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

CCCCC[C@H](CCCC(=O)C[C@H](CCOCC1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C22H33O5.3CO.Fe/c1-2-3-5-12-22(27-18-23)13-8-11-20(24)16-21(25)14-15-26-17-19-9-6-4-7-10-19;3*1-2;/h4,6-7,9-10,21-22,25H,2-3,5,8,11-17H2,1H3;;;;/q-1;;;;+2/t21-,22+;;;;/m0..../s1