17C

2,2'-iminodibenzoic acid

Created:	2011-02-18
Last modified:	2011-06-04

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2 entries where 17C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of 17C

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Chemical Component Summary
Name	2,2'-iminodibenzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2-carboxyphenyl)amino]benzoic acid
Formula	C₁₄ H₁₁ N O₄
Molecular Weight	257.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c2c(Nc1ccccc1C(=O)O)cccc2
SMILES	CACTVS	3.370	OC(=O)c1ccccc1Nc2ccccc2C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1ccccc1Nc2ccccc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O
InChI	InChI	1.03	InChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKey	InChI	1.03	ZFRNOTZQUGWMQN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11371
ChEMBL	CHEMBL1526652
CCDC/CSD	MIGNUL, PUCLUX
COD	7111190

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