D8F

(4-nitrophenyl) hexanoate

Created:	2019-07-17
Last modified:	2020-07-08

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of D8F

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Chemical Component Summary
Name	(4-nitrophenyl) hexanoate
Systematic Name (OpenEye OEToolkits)	(4-nitrophenyl) hexanoate
Formula	C₁₂ H₁₅ N O₄
Molecular Weight	237.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3
InChIKey	InChI	1.03	OLRXUEYZKCCEKK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	567162
ChEMBL	CHEMBL3272668

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