54142-64-2
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-HEXAHYDRO-2-OXO-4-[(1E)-3-OXO-4-[3-(TRIFLUOROMETHYL)PHENOXY]-1-BUTEN-1-YL]-2H-CYCLOPENTA[B]FURAN-5-YL ESTER
Name
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-HEXAHYDRO-2-OXO-4-[(1E)-3-OXO-4-[3-(TRIFLUOROMETHYL)PHENOXY]-1-BUTEN-1-YL]-2H-CYCLOPENTA[B]FURAN-5-YL ESTER
Formula
C31 H25 F3 O6
MolWeight
550.526
1Identification
【Name】
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-HEXAHYDRO-2-OXO-4-[(1E)-3-OXO-4-[3-(TRIFLUOROMETHYL)PHENOXY]-1-BUTEN-1-YL]-2H-CYCLOPENTA[B]FURAN-5-YL ESTER
【CAS】
40695-33-8
;54142-64-2
【MDL】
MFCD02068823
【English Synonyms】
【Formula】
C31 H25 F3 O6
【MolWeight】
550.526
【Inchi】
InChI=1S/C31H25F3O6/c32-31(33,34)22-7-4-8-24(15-22)38-18-23(35)13-14-25-26-16-29(36)39-28(26)17-27(25)40-30(37)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,25-28H,16-18H2/b14-13+/t25-,26-,27-,28+/m1/s1
【InChIKey】
InChIKey=FLEHAOYBYPJWKG-SHQPEEILSA-N
【SMILES】
c1ccc(cc1)c2ccc(cc2)C(=O)O[C@@H]3C[C@H]4[C@@H]([C@H]3/C=C/C(=O)COc5cccc(c5)C(F)(F)F)CC(=O)O4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (3AR,4R,5R,6AS)-HEXAHYDRO-2-OXO-4-[(1E)-3-OXO-4-[3-(TRIFLUOROMETHYL)PHENOXY]-1-BUTEN-1-YL]-2H-CYCLOPENTA[B]FURAN-5-YL ESTER.cml
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