5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione

Systemtic Name: 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione Openeye Name: 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione CAS Name: 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione IUPAC Name: 5-methyl-2-phenethyl-1,3-dioxepane-4,7-dione Traditional Name: 5-methyl-2-phenethyl-1,3-dioxepane-4,7-quinone Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)OC(OC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1CC(=O)OC(OC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H16O4/c1-10-9-12(15)17-13(18-14(10)16)8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3