3-heptyl-5-[4-(4-hexoxyphenyl)phenyl]oxolan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(OC1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCC1CC(OC1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC

InChI

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