Seratrodast

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Catalog Number ACM112665437
CAS 112665-43-7
Structure {[CurrentData.Name]}
IUPAC Name 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Synonyms Benzeneheptanoic Acid, Ζ-(2,4,5-Trimethyl-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)-
Molecular Weight 354.44
Molecular Formula C22H26O4
Canonical SMILES CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
Inchi InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
InChIKey ZBVKEHDGYSLCCC-UHFFFAOYSA-N
Boiling Point 522.3 °C at 760 mmHg (Predicted)
Melting Point 118-120 °C
Flash Point 283.8±26.3 °C
Purity 99%
Density 1.1±0.1 g/cm3
Appearance Light orange solid
Refractive Index 1.56

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