F1C

3,5-bis(3-acetamidophenyl)benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

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1 entries where F1C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	18

2D diagram of F1C

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Chemical Component Summary
Name	3,5-bis(3-acetamidophenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3,5-bis(3-acetamidophenyl)benzoic acid
Formula	C₂₃ H₂₀ N₂ O₄
Molecular Weight	388.416
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3cccc(NC(C)=O)c3)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3cccc(NC(C)=O)c3)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C
InChI	InChI	1.03	InChI=1S/C23H20N2O4/c1-14(26)24-21-7-3-5-16(12-21)18-9-19(11-20(10-18)23(28)29)17-6-4-8-22(13-17)25-15(2)27/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)
InChIKey	InChI	1.03	LLQUGHILDVUZIW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131955106

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