6-(4-chlorophenyl)-3,5,5-trimethyl-oxane-2,4-dione

Systemtic Name: 6-(4-chlorophenyl)-3,5,5-trimethyl-oxane-2,4-dione Openeye Name: 6-(4-chlorophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-dione CAS Name: 6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione IUPAC Name: 6-(4-chlorophenyl)-3,5,5-trimethyloxane-2,4-dione Traditional Name: 6-(4-chlorophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-quinone Formula: C14H15ClO3 MolecularWeight: 266.7201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C

Isomeric SMILES

CC1C(=O)C(C(OC1=O)C2=CC=C(C=C2)Cl)(C)C

InChI

InChI=1S/C14H15ClO3/c1-8-11(16)14(2,3)12(18-13(8)17)9-4-6-10(15)7-5-9/h4-8,12H,1-3H3