4,4'-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid

Catalog Number	ACM1002339798-2
CAS	1002339-79-8
Structure
Synonyms	1,2-Di(4-carboxyphenyl)-1,2-diphenylethylene; H2BCTPE
IUPAC Name	4-[(E)-2-(4-carboxyphenyl)-1,2-diphenylethenyl]benzoic acid
Molecular Weight	420.46
Molecular Formula	C28H20O4
Canonical SMILES	O=C(O)C(C=C1)=CC=C1/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/C4=CC=C(C(O)=O)C=C4
InChI	1S/C28H20O4/c29-27(30)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)28(31)32/h1-18H,(H,29,30)(H,31,32)/b26-25+,MTTUYJXPONEHGK-OCEACIFDSA-N
InChI Key	MTTUYJXPONEHGK-OCEACIFDSA-N
Purity	98%
Appearance	Yellow powder
Application	TPE-CA is an aggregation-induced emission (AIE) dye for esterification with hydroxyl and amino groups.
Storage	room temp
Complexity	610
Covalently-Bonded Unit Count	1
Exact Mass	420.136159g/mol
Formal Charge	0
Heavy Atom Count	32
Monoisotopic Mass	420.136159g/mol
Rotatable Bond Count	6