5-[5-[3-(3-chloranylphenoxy)-5-fluoranyl-phenyl]-2-methyl-pentan-2-yl]-1,2-dimethyl-3-nitro-benzene

Systemtic Name: 5-[5-[3-(3-chloranylphenoxy)-5-fluoranyl-phenyl]-2-methyl-pentan-2-yl]-1,2-dimethyl-3-nitro-benzene Openeye Name: 5-[4-[3-(3-chlorophenoxy)-5-fluoro-phenyl]-1,1-dimethyl-butyl]-1,2-dimethyl-3-nitro-benzene CAS Name: 5-[5-[3-(3-chlorophenoxy)-5-fluorophenyl]-2-methylpentan-2-yl]-1,2-dimethyl-3-nitrobenzene IUPAC Name: 5-[5-[3-(3-chlorophenoxy)-5-fluorophenyl]-2-methylpentan-2-yl]-1,2-dimethyl-3-nitrobenzene Traditional Name: 5-[4-[3-(3-chlorophenoxy)-5-fluoro-phenyl]-1,1-dimethyl-butyl]-1,2-dimethyl-3-nitro-benzene Formula: C26H27ClFNO3 MolecularWeight: 455.948883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)CCCC2=CC(=CC(=C2)F)OC3=CC(=CC=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)CCCC2=CC(=CC(=C2)F)OC3=CC(=CC=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C26H27ClFNO3/c1-17-11-20(14-25(18(17)2)29(30)31)26(3,4)10-6-7-19-12-22(28)16-24(13-19)32-23-9-5-8-21(27)15-23/h5,8-9,11-16H,6-7,10H2,1-4H3