1327-69-1 Purity
96%
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Specification
The molecular formula is C26H16O2S2.
The molecular weight is 424.5 g/mol.
The IUPAC name is 1,8-bis(phenylsulfanyl)anthracene-9,10-dione.
The InChI is InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H.
The InChIKey is CNRPDCKHCGUKDK-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5.
The CAS number is 13676-91-0.
The XLogP3-AA value is 7.
There are 0 hydrogen bond donor counts.
There are 4 hydrogen bond acceptor counts.