1-[bis(fluoranyl)methoxy]-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene

Systemtic Name: 1-[bis(fluoranyl)methoxy]-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene Openeye Name: 1-(difluoromethoxy)-4-[1-ethynyl-1-methyl-4-(3-phenoxyphenyl)butyl]benzene CAS Name: 1-(difluoromethoxy)-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene IUPAC Name: 1-(difluoromethoxy)-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene Traditional Name: 1-(difluoromethoxy)-4-[1-methyl-1-[3-(3-phenoxyphenyl)propyl]prop-2-ynyl]benzene Formula: C26H24F2O2 MolecularWeight: 406.464366

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)(C#C)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CC(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)(C#C)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C26H24F2O2/c1-3-26(2,21-14-16-23(17-15-21)30-25(27)28)18-8-10-20-9-7-13-24(19-20)29-22-11-5-4-6-12-22/h1,4-7,9,11-17,19,25H,8,10,18H2,2H3