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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H33BrO/c1-2-3-4-5-6-7-8-20-9-18-25(27-19-20)23-12-10-21(11-13-23)22-14-16-24(26)17-15-22/h10-17,20,25H,2-9,18-19H2,1H3