3-[2-[3,3-bis(fluoranyl)propoxy]-3-tert-butyl-5-ethyl-phenyl]-1-benzothiophene

Systemtic Name: 3-[2-[3,3-bis(fluoranyl)propoxy]-3-tert-butyl-5-ethyl-phenyl]-1-benzothiophene Openeye Name: 3-[3-tert-butyl-2-(3,3-difluoropropoxy)-5-ethyl-phenyl]benzothiophene CAS Name: 3-[3-tert-butyl-2-(3,3-difluoropropoxy)-5-ethylphenyl]-1-benzothiophene IUPAC Name: 3-[3-tert-butyl-2-(3,3-difluoropropoxy)-5-ethylphenyl]-1-benzothiophene Traditional Name: 3-[3-tert-butyl-2-(3,3-difluoropropoxy)-5-ethyl-phenyl]benzothiophene Formula: C23H26F2OS MolecularWeight: 388.513746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C2=CSC3=CC=CC=C32)OCCC(F)F)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C2=CSC3=CC=CC=C32)OCCC(F)F)C(C)(C)C

InChI

InChI=1S/C23H26F2OS/c1-5-15-12-17(18-14-27-20-9-7-6-8-16(18)20)22(26-11-10-21(24)25)19(13-15)23(2,3)4/h6-9,12-14,21H,5,10-11H2,1-4H3