5',5''''-(Buta-1,3-diyne-1,4-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)), 98%

cas: 2227093-90-3 — see every product listed under this CAS number, including other names

5',5''''-(Buta-1,3-diyne-1,4-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)), 98% (CAS 2227093-90-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 1g. Offered by: Fluorochem.

brand	Fluorochem
catalog number	F553125-100MG
cas	2227093-90-3
size	100mg

Documents: Safety Data Sheet (MSDS)

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4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]buta-1,3-diynyl]-5-(4-carboxyphenyl)phenyl]benzoic acid (CAS 2227093-90-3) is a chemical compound with the molecular formula C44H26O8 and a molecular weight of 682.7 g/mol. IUPAC name: 4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]buta-1,3-diynyl]-5-(4-carboxyphenyl)phenyl]benzoic acid. InChIKey: LVPSTLTWYABQPF-UHFFFAOYSA-N.

Identity

Molecular formula	C44H26O8
Molecular weight	682.7 g/mol
IUPAC name	4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]buta-1,3-diynyl]-5-(4-carboxyphenyl)phenyl]benzoic acid
InChIKey	LVPSTLTWYABQPF-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C2=CC(=CC(=C2)C#CC#CC3=CC(=CC(=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C(=O)O)C(=O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)

4-[3,6,8-tris(4-carboxyphenyl)pyren-1-yl]benzoic acid C₄₄H₂₆O₈

4-[5,9,10-tris(4-carboxyphenyl)pyren-4-yl]benzoic acid C₄₄H₂₆O₈

3-[3,6,8-tris(3-carboxyphenyl)pyren-1-yl]benzoic acid C₄₄H₂₆O₈