1-[bis(fluoranyl)methoxy]-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene

Systemtic Name: 1-[bis(fluoranyl)methoxy]-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene Openeye Name: 1-(difluoromethoxy)-4-[1,1-dimethyl-4-(3-phenoxyphenyl)hex-5-ynyl]benzene CAS Name: 1-(difluoromethoxy)-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene IUPAC Name: 1-(difluoromethoxy)-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene Traditional Name: 1-(difluoromethoxy)-4-[1,1-dimethyl-4-(3-phenoxyphenyl)hex-5-ynyl]benzene Formula: C27H26F2O2 MolecularWeight: 420.490946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26F2O2/c1-4-20(21-9-8-12-25(19-21)30-23-10-6-5-7-11-23)17-18-27(2,3)22-13-15-24(16-14-22)31-26(28)29/h1,5-16,19-20,26H,17-18H2,2-3H3