3-butyl-5-[4-(4-octylphenyl)phenyl]oxolan-2-one

Systemtic Name: 3-butyl-5-[4-(4-octylphenyl)phenyl]oxolan-2-one Openeye Name: 3-butyl-5-[4-(4-octylphenyl)phenyl]tetrahydrofuran-2-one CAS Name: 3-butyl-5-[4-(4-octylphenyl)phenyl]-2-oxolanone IUPAC Name: 3-butyl-5-[4-(4-octylphenyl)phenyl]oxolan-2-one Traditional Name: 3-butyl-5-[4-(4-octylphenyl)phenyl]tetrahydrofuran-2-one Formula: C28H38O2 MolecularWeight: 406.60012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCC

InChI

InChI=1S/C28H38O2/c1-3-5-7-8-9-10-11-22-13-15-23(16-14-22)24-17-19-25(20-18-24)27-21-26(12-6-4-2)28(29)30-27/h13-20,26-27H,3-12,21H2,1-2H3