5-(4-butylphenyl)-3-heptyl-oxolan-2-one

Systemtic Name: 5-(4-butylphenyl)-3-heptyl-oxolan-2-one Openeye Name: 5-(4-butylphenyl)-3-heptyl-tetrahydrofuran-2-one CAS Name: 5-(4-butylphenyl)-3-heptyl-2-oxolanone IUPAC Name: 5-(4-butylphenyl)-3-heptyloxolan-2-one Traditional Name: 5-(4-butylphenyl)-3-heptyl-tetrahydrofuran-2-one Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(OC1=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCCC1CC(OC1=O)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C21H32O2/c1-3-5-7-8-9-11-19-16-20(23-21(19)22)18-14-12-17(13-15-18)10-6-4-2/h12-15,19-20H,3-11,16H2,1-2H3