GHS
GHS Classification Search
Ccris 7514
CAS Number: 137102-93-3
IUPAC name: trans-(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular formula: C27H32F6O3
Molecular weight: 518.5
InChI: InChI=1S/C27H32F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-10,16,20,22-23,34-36H,2,5-7,11-12,14-15H2,1,3H3/b18-8+,19-9+/t16-,20-,22+,23+,24-/m1/s1
InChIKey: WVQFESJNOSYLJI-RGTRFGFKSA-N
SMILES: C[C@H](CC#CC(C(F)(F)F)(C(F)(F)F)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
EINECS: -
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