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(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol

Catalog Number ACM1228600994
CAS 1228600-99-4
IUPAC Name 3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular Weight 718.60
Molecular Formula C36H26F12O2
InChI IZGSABWUJQZVAQ-UHFFFAOYSA-N
InChI Key InChI=1S/C36H26F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2
Purity 98%+
Appearance White to off-white powder
Isomeric SMILES C1CCC2=C(C(=C(C=C2C1)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C4=C5CCCCC5=CC(=C4O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
Optical Purity ≥99%e.e.
Specific Rotation +27°, (c=1 in chloroform)

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