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

Systemtic Name: 3-butyl-5-[4-(4-heptoxyphenyl)phenyl]oxolan-2-one Openeye Name: 3-butyl-5-[4-(4-heptoxyphenyl)phenyl]tetrahydrofuran-2-one CAS Name: 3-butyl-5-[4-(4-heptoxyphenyl)phenyl]-2-oxolanone IUPAC Name: 3-butyl-5-[4-(4-heptoxyphenyl)phenyl]oxolan-2-one Traditional Name: 3-butyl-5-[4-(4-heptoxyphenyl)phenyl]tetrahydrofuran-2-one Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCC

InChI

InChI=1S/C27H36O3/c1-3-5-7-8-9-19-29-25-17-15-22(16-18-25)21-11-13-23(14-12-21)26-20-24(10-6-4-2)27(28)30-26/h11-18,24,26H,3-10,19-20H2,1-2H3