5-[4-(4-bromophenyl)phenyl]-2-octyl-oxane

Systemtic Name: 5-[4-(4-bromophenyl)phenyl]-2-octyl-oxane Openeye Name: 5-[4-(4-bromophenyl)phenyl]-2-octyl-tetrahydropyran CAS Name: 5-[4-(4-bromophenyl)phenyl]-2-octyloxane IUPAC Name: 5-[4-(4-bromophenyl)phenyl]-2-octyloxane Traditional Name: 5-[4-(4-bromophenyl)phenyl]-2-octyl-tetrahydropyran Formula: C25H33BrO MolecularWeight: 429.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCC1CCC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H33BrO/c1-2-3-4-5-6-7-8-25-18-15-23(19-27-25)22-11-9-20(10-12-22)21-13-16-24(26)17-14-21/h9-14,16-17,23,25H,2-8,15,18-19H2,1H3