XIP

4-(4-aminostyryl)benzoic acid

Created:	2023-11-02
Last modified:	2024-03-20

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1 entries where XIP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of XIP

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Chemical Component Summary
Name	4-(4-aminostyryl)benzoic acid
Synonyms	4-[2-(4-aminophenyl)ethenyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	4-[2-(4-aminophenyl)ethenyl]benzoic acid
Formula	C₁₅ H₁₃ N O₂
Molecular Weight	239.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc(cc1)C=Cc2ccc(cc2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=Cc2ccc(cc2)N)C(=O)O
Canonical SMILES	CACTVS	3.385	Nc1ccc(cc1)\C=C/c2ccc(cc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C=Cc2ccc(cc2)N)C(=O)O
InChI	InChI	1.06	InChI=1S/C15H13NO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10H,16H2,(H,17,18)
InChIKey	InChI	1.06	XLNJCEOZYNLROH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	92531934

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