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

Catalog Number ACM1002339798-2
CAS 1002339-79-8
Structure 4,4'-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid
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
Heavy Atom Count 32
Monoisotopic Mass 420.136159g/mol
Rotatable Bond Count 6

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