[5,8-bis(oxidanylidene)-8-phenyl-octan-2-yl] ethanoate

Systemtic Name: [5,8-bis(oxidanylidene)-8-phenyl-octan-2-yl] ethanoate Openeye Name: (1-methyl-4,7-dioxo-7-phenyl-heptyl) acetate CAS Name: acetic acid (5,8-dioxo-8-phenyloctan-2-yl) ester IUPAC Name: (5,8-dioxo-8-phenyloctan-2-yl) acetate Traditional Name: acetic acid (4,7-diketo-1-methyl-7-phenyl-heptyl) ester Formula: C16H20O4 MolecularWeight: 276.3276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)CCC(=O)C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC(CCC(=O)CCC(=O)C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C16H20O4/c1-12(20-13(2)17)8-9-15(18)10-11-16(19)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3