2-[4-(4-octylphenyl)phenyl]-5-pentyl-oxane

Systemtic Name: 2-[4-(4-octylphenyl)phenyl]-5-pentyl-oxane Openeye Name: 2-[4-(4-octylphenyl)phenyl]-5-pentyl-tetrahydropyran CAS Name: 2-[4-(4-octylphenyl)phenyl]-5-pentyloxane IUPAC Name: 2-[4-(4-octylphenyl)phenyl]-5-pentyloxane Traditional Name: 5-amyl-2-[4-(4-octylphenyl)phenyl]tetrahydropyran Formula: C30H44O MolecularWeight: 420.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CO3)CCCCC

InChI

InChI=1S/C30H44O/c1-3-5-7-8-9-11-12-25-14-17-27(18-15-25)28-19-21-29(22-20-28)30-23-16-26(24-31-30)13-10-6-4-2/h14-15,17-22,26,30H,3-13,16,23-24H2,1-2H3