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

Systemtic Name: 2-[4-(4-bromophenyl)phenyl]-5-butyl-oxane Openeye Name: 2-[4-(4-bromophenyl)phenyl]-5-butyl-tetrahydropyran CAS Name: 2-[4-(4-bromophenyl)phenyl]-5-butyloxane IUPAC Name: 2-[4-(4-bromophenyl)phenyl]-5-butyloxane Traditional Name: 2-[4-(4-bromophenyl)phenyl]-5-butyl-tetrahydropyran Formula: C21H25BrO MolecularWeight: 373.3266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrO/c1-2-3-4-16-5-14-21(23-15-16)19-8-6-17(7-9-19)18-10-12-20(22)13-11-18/h6-13,16,21H,2-5,14-15H2,1H3