1-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethyl 2-phenylethanoate

Systemtic Name: 1-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethyl 2-phenylethanoate Openeye Name: 1-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)ethyl 2-phenylacetate CAS Name: 2-phenylacetic acid 1-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)ethyl ester IUPAC Name: 1-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 1-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)ethyl ester Formula: C19H20O4 MolecularWeight: 312.3597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(C)OC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(C)OC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H20O4/c1-11-12(2)19(22)17(13(3)18(11)21)14(4)23-16(20)10-15-8-6-5-7-9-15/h5-9,14H,10H2,1-4H3