(E,3S,4R)-1-phenyl-7-phenylmethoxy-4-(trifluoromethyl)hept-1-en-5-yn-3-ol

Systemtic Name: (E,3S,4R)-1-phenyl-7-phenylmethoxy-4-(trifluoromethyl)hept-1-en-5-yn-3-ol Openeye Name: (E,3S,4R)-7-benzyloxy-1-phenyl-4-(trifluoromethyl)hept-1-en-5-yn-3-ol CAS Name: (E,3S,4R)-1-phenyl-7-phenylmethoxy-4-(trifluoromethyl)-3-hept-1-en-5-ynol IUPAC Name: (E,3S,4R)-1-phenyl-7-phenylmethoxy-4-(trifluoromethyl)hept-1-en-5-yn-3-ol Traditional Name: (E,3S,4R)-7-benzoxy-1-phenyl-4-(trifluoromethyl)hept-1-en-5-yn-3-ol Formula: C21H19F3O2 MolecularWeight: 360.36957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC#CC(C(C=CC2=CC=CC=C2)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COCC#C[C@H]([C@H](/C=C/C2=CC=CC=C2)O)C(F)(F)F

InChI

InChI=1S/C21H19F3O2/c22-21(23,24)19(20(25)14-13-17-8-3-1-4-9-17)12-7-15-26-16-18-10-5-2-6-11-18/h1-6,8-11,13-14,19-20,25H,15-16H2/b14-13+/t19-,20+/m1/s1