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

Systemtic Name: 6-(4-chlorophenyl)-3-octyl-oxan-2-one Openeye Name: 6-(4-chlorophenyl)-3-octyl-tetrahydropyran-2-one CAS Name: 6-(4-chlorophenyl)-3-octyl-2-oxanone IUPAC Name: 6-(4-chlorophenyl)-3-octyloxan-2-one Traditional Name: 6-(4-chlorophenyl)-3-octyl-tetrahydropyran-2-one Formula: C19H27ClO2 MolecularWeight: 322.86948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H27ClO2/c1-2-3-4-5-6-7-8-16-11-14-18(22-19(16)21)15-9-12-17(20)13-10-15/h9-10,12-13,16,18H,2-8,11,14H2,1H3