WRW

4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid

Created:	2023-10-16
Last modified:	2023-12-06

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1 entries where WRW is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	24

2D diagram of WRW

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Chemical Component Summary
Name	4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
Synonyms	1,3,5-Tris(4-carboxyphenyl)benzene
Systematic Name (OpenEye OEToolkits)	4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
Formula	C₂₇ H₁₈ O₆
Molecular Weight	438.428
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)c2cc(cc(c2)c3ccc(cc3)C(O)=O)c4ccc(cc4)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(cc(c2)c3ccc(cc3)C(=O)O)c4ccc(cc4)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(cc1)c2cc(cc(c2)c3ccc(cc3)C(O)=O)c4ccc(cc4)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(cc(c2)c3ccc(cc3)C(=O)O)c4ccc(cc4)C(=O)O)C(=O)O
InChI	InChI	1.06	InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChIKey	InChI	1.06	SATWKVZGMWCXOJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10694305
CCDC/CSD	POSVEA
COD	7117459

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