1-(1-fluoranyl-2-iodanyl-ethyl)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene

Systemtic Name: 1-(1-fluoranyl-2-iodanyl-ethyl)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene Openeye Name: 1-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-4-(1-fluoro-2-iodo-ethyl)benzene CAS Name: 1-(1-fluoro-2-iodoethyl)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene IUPAC Name: 1-(1-fluoro-2-iodoethyl)-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene Traditional Name: 1-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-4-(1-fluoro-2-iodo-ethyl)benzene Formula: C26H28FIO MolecularWeight: 502.402793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C(CI)F

Isomeric SMILES

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C(CI)F

InChI

InChI=1S/C26H28FIO/c1-26(2,22-15-13-21(14-16-22)25(27)19-28)17-7-9-20-8-6-12-24(18-20)29-23-10-4-3-5-11-23/h3-6,8,10-16,18,25H,7,9,17,19H2,1-2H3