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

Systemtic Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyl-oxane Openeye Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyl-tetrahydropyran CAS Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyloxane IUPAC Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyloxane Traditional Name: 2-[4-(4-heptylphenyl)phenyl]-5-octyl-tetrahydropyran Formula: C32H48O MolecularWeight: 448.72292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48O/c1-3-5-7-9-11-13-15-28-18-25-32(33-26-28)31-23-21-30(22-24-31)29-19-16-27(17-20-29)14-12-10-8-6-4-2/h16-17,19-24,28,32H,3-15,18,25-26H2,1-2H3