(E)-5-[4-(1-adamantyl)-3-oxidanyl-phenyl]-2-[3-(trifluoromethyl)phenyl]pent-2-enoate

Systemtic Name: (E)-5-[4-(1-adamantyl)-3-oxidanyl-phenyl]-2-[3-(trifluoromethyl)phenyl]pent-2-enoate Openeye Name: (E)-5-[4-(1-adamantyl)-3-hydroxy-phenyl]-2-[3-(trifluoromethyl)phenyl]pent-2-enoate CAS Name: (E)-5-[4-(1-adamantyl)-3-hydroxyphenyl]-2-[3-(trifluoromethyl)phenyl]-2-pentenoate IUPAC Name: (E)-5-[4-(1-adamantyl)-3-hydroxyphenyl]-2-[3-(trifluoromethyl)phenyl]pent-2-enoate Traditional Name: (E)-5-[4-(1-adamantyl)-3-hydroxy-phenyl]-2-[3-(trifluoromethyl)phenyl]pent-2-enoate Formula: C28H28F3O3- MolecularWeight: 469.51533

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CCC=C(C5=CC(=CC=C5)C(F)(F)F)C(=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CC/C=C(\C5=CC(=CC=C5)C(F)(F)F)/C(=O)[O-])O

InChI

InChI=1S/C28H29F3O3/c29-28(30,31)22-5-2-4-21(13-22)23(26(33)34)6-1-3-17-7-8-24(25(32)12-17)27-14-18-9-19(15-27)11-20(10-18)16-27/h2,4-8,12-13,18-20,32H,1,3,9-11,14-16H2,(H,33,34)/p-1/b23-6+