1-fluoranyl-4-[4-methyl-4-(4-prop-2-ynoxyphenyl)pentyl]-2-phenoxy-benzene

Systemtic Name: 1-fluoranyl-4-[4-methyl-4-(4-prop-2-ynoxyphenyl)pentyl]-2-phenoxy-benzene Openeye Name: 1-fluoro-4-[4-methyl-4-(4-prop-2-ynoxyphenyl)pentyl]-2-phenoxy-benzene CAS Name: 1-fluoro-4-[4-methyl-4-(4-prop-2-ynoxyphenyl)pentyl]-2-phenoxybenzene IUPAC Name: 1-fluoro-4-[4-methyl-4-(4-prop-2-ynoxyphenyl)pentyl]-2-phenoxybenzene Traditional Name: 1-fluoro-4-[4-methyl-4-(4-propargyloxyphenyl)pentyl]-2-phenoxy-benzene Formula: C27H27FO2 MolecularWeight: 402.500483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27FO2/c1-4-19-29-23-15-13-22(14-16-23)27(2,3)18-8-9-21-12-17-25(28)26(20-21)30-24-10-6-5-7-11-24/h1,5-7,10-17,20H,8-9,18-19H2,2-3H3