1-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-5-fluoranyl-1-benzothiophen-2-yl]ethanone

Systemtic Name: 1-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-5-fluoranyl-1-benzothiophen-2-yl]ethanone Openeye Name: 1-[4-(2-butoxy-3,5-diisopropyl-phenyl)-5-fluoro-benzothiophen-2-yl]ethanone CAS Name: 1-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-5-fluoro-1-benzothiophen-2-yl]ethanone IUPAC Name: 1-[4-[2-butoxy-3,5-di(propan-2-yl)phenyl]-5-fluoro-1-benzothiophen-2-yl]ethanone Traditional Name: 1-[4-(2-butoxy-3,5-diisopropyl-phenyl)-5-fluoro-benzothiophen-2-yl]ethanone Formula: C26H31FO2S MolecularWeight: 426.586543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=C(C=CC3=C2C=C(S3)C(=O)C)F)C(C)C)C(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=C(C=CC3=C2C=C(S3)C(=O)C)F)C(C)C)C(C)C

InChI

InChI=1S/C26H31FO2S/c1-7-8-11-29-26-19(16(4)5)12-18(15(2)3)13-21(26)25-20-14-24(17(6)28)30-23(20)10-9-22(25)27/h9-10,12-16H,7-8,11H2,1-6H3