[3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butyl] 2-phenylethanoate

Systemtic Name: [3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butyl] 2-phenylethanoate Openeye Name: [3-(2,4-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [3-(2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutyl] ester IUPAC Name: [3-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [3-(3,6-diketo-2,4-dimethyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butyl] ester Formula: C21H24O4 MolecularWeight: 340.41286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4/c1-14-12-17(22)19(15(2)20(14)24)21(3,4)10-11-25-18(23)13-16-8-6-5-7-9-16/h5-9,12H,10-11,13H2,1-4H3