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The molecular formula is C24H16OS2.
The synonyms are Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester.
The molecular weight is 384.5 g/mol.
It was created on August 25, 2017.
It was last modified on December 2, 2023.
The IUPAC name is O-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]sulfanyl ethanethioate.
The InChI is InChI=1S/C24H16OS2/c1-19(26)25-27-24-17-15-23(16-18-24)14-13-22-11-9-21(10-12-22)8-7-20-5-3-2-4-6-20/h2-6,9-12,15-18H,1H3.
The InChIKey is DHGXESYGXQFNBX-UHFFFAOYSA-N.
The canonical SMILES is CC(=S)OSC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3.
The XLogP3-AA value is 6.8.
28212-50-2
29323-87-3
29911-27-1
43012-19-7
443361-18-0
4494-24-0
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