carbon monoxide; iron; [(E,2S)-4-(phenylsulfonyl)but-3-en-2-yl]oxymethylbenzene

Systemtic Name: carbon monoxide; iron; [(E,2S)-4-(phenylsulfonyl)but-3-en-2-yl]oxymethylbenzene Openeye Name: [(E,1S)-3-(benzenesulfonyl)-1-methyl-allyloxy]methylbenzene; carbon monoxide; iron CAS Name: [(E,2S)-4-(benzenesulfonyl)but-3-en-2-yl]oxymethylbenzene; carbon monoxide; iron IUPAC Name: [(E,2S)-4-(benzenesulfonyl)but-3-en-2-yl]oxymethylbenzene; carbon monoxide; iron Traditional Name: [(E,1S)-3-besyl-1-methyl-allyloxy]methylbenzene; carbon monoxide; iron Formula: C21H18FeO7S MolecularWeight: 470.27342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CS(=O)(=O)C1=CC=CC=C1)OCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C[C@@H](/C=C/S(=O)(=O)C1=CC=CC=C1)OCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C17H18O3S.4CO.Fe/c1-15(20-14-16-8-4-2-5-9-16)12-13-21(18,19)17-10-6-3-7-11-17;4*1-2;/h2-13,15H,14H2,1H3;;;;;/b13-12+;;;;;/t15-;;;;;/m0...../s1