3,5,5-trimethyl-6-phenyl-oxane-2,4-dione

Systemtic Name: 3,5,5-trimethyl-6-phenyl-oxane-2,4-dione Openeye Name: 3,5,5-trimethyl-6-phenyl-tetrahydropyran-2,4-dione CAS Name: 3,5,5-trimethyl-6-phenyloxane-2,4-dione IUPAC Name: 3,5,5-trimethyl-6-phenyloxane-2,4-dione Traditional Name: 3,5,5-trimethyl-6-phenyl-tetrahydropyran-2,4-quinone Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-9-11(15)14(2,3)12(17-13(9)16)10-7-5-4-6-8-10/h4-9,12H,1-3H3