3-(4-chlorophenyl)-6-heptyl-oxan-2-one

Systemtic Name: 3-(4-chlorophenyl)-6-heptyl-oxan-2-one Openeye Name: 3-(4-chlorophenyl)-6-heptyl-tetrahydropyran-2-one CAS Name: 3-(4-chlorophenyl)-6-heptyl-2-oxanone IUPAC Name: 3-(4-chlorophenyl)-6-heptyloxan-2-one Traditional Name: 3-(4-chlorophenyl)-6-heptyl-tetrahydropyran-2-one Formula: C18H25ClO2 MolecularWeight: 308.8429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(C(=O)O1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCC1CCC(C(=O)O1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClO2/c1-2-3-4-5-6-7-16-12-13-17(18(20)21-16)14-8-10-15(19)11-9-14/h8-11,16-17H,2-7,12-13H2,1H3