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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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