2-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-furan-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid

Systemtic Name: 2-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-furan-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoic acid Openeye Name: 2-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-3-furyl]-5-hydroxy-3-oxo-hept-6-enoic acid CAS Name: 2-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-3-furanyl]-5-hydroxy-3-oxo-6-heptenoic acid IUPAC Name: 2-[2-tert-butyl-4-(4-fluorophenyl)-5-phenylfuran-3-yl]-5-hydroxy-3-oxohept-6-enoic acid Traditional Name: 2-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-3-furyl]-5-hydroxy-3-keto-hept-6-enoic acid Formula: C27H27FO5 MolecularWeight: 450.498683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)F)C(C(=O)CC(C=C)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=C(C=C3)F)C(C(=O)CC(C=C)O)C(=O)O

InChI

InChI=1S/C27H27FO5/c1-5-19(29)15-20(30)22(26(31)32)23-21(16-11-13-18(28)14-12-16)24(17-9-7-6-8-10-17)33-25(23)27(2,3)4/h5-14,19,22,29H,1,15H2,2-4H3,(H,31,32)