3-[(E)-2-(2,5-ditert-butyl-4-phenyl-thiophen-3-yl)ethenyl]-5-fluoranyl-4-oxidanyl-oxan-2-one

Systemtic Name: 3-[(E)-2-(2,5-ditert-butyl-4-phenyl-thiophen-3-yl)ethenyl]-5-fluoranyl-4-oxidanyl-oxan-2-one Openeye Name: 3-[(E)-2-(2,5-ditert-butyl-4-phenyl-3-thienyl)vinyl]-5-fluoro-4-hydroxy-tetrahydropyran-2-one CAS Name: 3-[(E)-2-(2,5-ditert-butyl-4-phenyl-3-thiophenyl)ethenyl]-5-fluoro-4-hydroxy-2-oxanone IUPAC Name: 3-[(E)-2-(2,5-ditert-butyl-4-phenylthiophen-3-yl)ethenyl]-5-fluoro-4-hydroxyoxan-2-one Traditional Name: 3-[(E)-2-(2,5-ditert-butyl-4-phenyl-3-thienyl)vinyl]-5-fluoro-4-hydroxy-tetrahydropyran-2-one Formula: C25H31FO3S MolecularWeight: 430.575243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(S1)C(C)(C)C)C2=CC=CC=C2)C=CC3C(C(COC3=O)F)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(S1)C(C)(C)C)C2=CC=CC=C2)/C=C/C3C(C(COC3=O)F)O

InChI

InChI=1S/C25H31FO3S/c1-24(2,3)21-16(12-13-17-20(27)18(26)14-29-23(17)28)19(15-10-8-7-9-11-15)22(30-21)25(4,5)6/h7-13,17-18,20,27H,14H2,1-6H3/b13-12+