2-[[2,6-dibutyl-4-(3,4-dibutylphenyl)phenoxy]methyl]oxirane

Systemtic Name: 2-[[2,6-dibutyl-4-(3,4-dibutylphenyl)phenoxy]methyl]oxirane Openeye Name: 2-[[2,6-dibutyl-4-(3,4-dibutylphenyl)phenoxy]methyl]oxirane CAS Name: 2-[[2,6-dibutyl-4-(3,4-dibutylphenyl)phenoxy]methyl]oxirane IUPAC Name: 2-[[2,6-dibutyl-4-(3,4-dibutylphenyl)phenoxy]methyl]oxirane Traditional Name: 2-[[2,6-dibutyl-4-(3,4-dibutylphenyl)phenoxy]methyl]oxirane Formula: C31H46O2 MolecularWeight: 450.69574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C2=CC(=C(C(=C2)CCCC)OCC3CO3)CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C2=CC(=C(C(=C2)CCCC)OCC3CO3)CCCC)CCCC

InChI

InChI=1S/C31H46O2/c1-5-9-13-24-17-18-26(19-25(24)14-10-6-2)29-20-27(15-11-7-3)31(33-23-30-22-32-30)28(21-29)16-12-8-4/h17-21,30H,5-16,22-23H2,1-4H3