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

Systemtic Name: 5-[4-(4-octoxyphenyl)phenyl]-3-pentyl-oxolan-2-one Openeye Name: 5-[4-(4-octoxyphenyl)phenyl]-3-pentyl-tetrahydrofuran-2-one CAS Name: 5-[4-(4-octoxyphenyl)phenyl]-3-pentyl-2-oxolanone IUPAC Name: 5-[4-(4-octoxyphenyl)phenyl]-3-pentyloxolan-2-one Traditional Name: 3-amyl-5-[4-(4-octoxyphenyl)phenyl]tetrahydrofuran-2-one Formula: C29H40O3 MolecularWeight: 436.6261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O3/c1-3-5-7-8-9-11-21-31-27-19-17-24(18-20-27)23-13-15-25(16-14-23)28-22-26(29(30)32-28)12-10-6-4-2/h13-20,26,28H,3-12,21-22H2,1-2H3