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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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