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

Systemtic Name: 3-butyl-5-[4-(4-octoxyphenyl)phenyl]oxolan-2-one Openeye Name: 3-butyl-5-[4-(4-octoxyphenyl)phenyl]tetrahydrofuran-2-one CAS Name: 3-butyl-5-[4-(4-octoxyphenyl)phenyl]-2-oxolanone IUPAC Name: 3-butyl-5-[4-(4-octoxyphenyl)phenyl]oxolan-2-one Traditional Name: 3-butyl-5-[4-(4-octoxyphenyl)phenyl]tetrahydrofuran-2-one Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCC

InChI

InChI=1S/C28H38O3/c1-3-5-7-8-9-10-20-30-26-18-16-23(17-19-26)22-12-14-24(15-13-22)27-21-25(11-6-4-2)28(29)31-27/h12-19,25,27H,3-11,20-21H2,1-2H3