3F7

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

Created:	2014-08-06
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of 3F7

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Chemical Component Summary
Name	1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
Systematic Name (OpenEye OEToolkits)	1-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]pyrrole-2,5-dione
Formula	C₁₄ H₈ N₂ O₄
Molecular Weight	268.224
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
SMILES	CACTVS	3.385	O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
Canonical SMILES	CACTVS	3.385	O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
InChI	InChI	1.03	InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
InChIKey	InChI	1.03	AQGZJQNZNONGKY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76765
ChEMBL	CHEMBL576594

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