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

Systemtic Name: 2-[4-(4-butylphenyl)phenyl]-5-octyl-oxane Openeye Name: 2-[4-(4-butylphenyl)phenyl]-5-octyl-tetrahydropyran CAS Name: 2-[4-(4-butylphenyl)phenyl]-5-octyloxane IUPAC Name: 2-[4-(4-butylphenyl)phenyl]-5-octyloxane Traditional Name: 2-[4-(4-butylphenyl)phenyl]-5-octyl-tetrahydropyran Formula: C29H42O MolecularWeight: 406.64318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O/c1-3-5-7-8-9-10-12-25-15-22-29(30-23-25)28-20-18-27(19-21-28)26-16-13-24(14-17-26)11-6-4-2/h13-14,16-21,25,29H,3-12,15,22-23H2,1-2H3