CFC

Summary

Name:	1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE
Formula:	C14 H15 Fe N O3
Formal charge:	0
Formula weight:	301.119 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.341	[Fe]\|1\|2\|3\|4\|5\|6\|7\|8(\|[CH]9[CH]\|1[CH]\|2[C]\|3([CH]\|49)C(O)=O)\|[CH]%10[CH]\|5[CH]\|6[C]\|7([CH]\|8%10)C(=O)N(C)C
SMILES	CACTVS	3.341	[Fe]\|1\|2\|3\|4\|5\|6\|7\|8(\|[CH]9[CH]\|1[CH]\|2[C]\|3([CH]\|49)C(O)=O)\|[CH]%10[CH]\|5[CH]\|6[C]\|7([CH]\|8%10)C(=O)N(C)C
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O
SMILES	OpenEye OEToolkits	1.5.0	CN(C)C(=O)C12C3[Fe]1456789(C3C4C52)C1C6C7C8(C91)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);
InChIKey	InChI	1.03	QUKRDAUIFVLNSE-UHFFFAOYSA-N