ME9

1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)

Created:	2011-03-04
Last modified:	2024-09-27

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2 entries where ME9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of ME9

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Chemical Component Summary
Name	1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione)
Systematic Name (OpenEye OEToolkits)	1-[4-(2,5-dioxopyrrol-1-yl)butyl]pyrrole-2,5-dione
Formula	C₁₂ H₁₂ N₂ O₄
Molecular Weight	248.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O
SMILES	CACTVS	3.370	O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O
SMILES	OpenEye OEToolkits	1.7.0	C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O
Canonical SMILES	CACTVS	3.370	O=C1C=CC(=O)N1CCCCN2C(=O)C=CC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O
InChI	InChI	1.03	InChI=1S/C12H12N2O4/c15-9-3-4-10(16)13(9)7-1-2-8-14-11(17)5-6-12(14)18/h3-6H,1-2,7-8H2
InChIKey	InChI	1.03	WXXSHAKLDCERGU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	239576
ChEMBL	CHEMBL567436

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