1-bromanyl-4-[3-[4-(4-chlorophenyl)-4-methyl-hexyl]phenoxy]benzene

Systemtic Name: 1-bromanyl-4-[3-[4-(4-chlorophenyl)-4-methyl-hexyl]phenoxy]benzene Openeye Name: 1-bromo-4-[3-[4-(4-chlorophenyl)-4-methyl-hexyl]phenoxy]benzene CAS Name: 1-bromo-4-[3-[4-(4-chlorophenyl)-4-methylhexyl]phenoxy]benzene IUPAC Name: 1-bromo-4-[3-[4-(4-chlorophenyl)-4-methylhexyl]phenoxy]benzene Traditional Name: 1-bromo-4-[3-[4-(4-chlorophenyl)-4-methyl-hexyl]phenoxy]benzene Formula: C25H26BrClO MolecularWeight: 457.83034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H26BrClO/c1-3-25(2,20-9-13-22(27)14-10-20)17-5-7-19-6-4-8-24(18-19)28-23-15-11-21(26)12-16-23/h4,6,8-16,18H,3,5,7,17H2,1-2H3