hexyl 3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate

Systemtic Name: hexyl 3-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate Openeye Name: hexyl 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methyl-butanoate CAS Name: 3-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutanoic acid hexyl ester IUPAC Name: hexyl 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutanoate Traditional Name: 3-(3,6-diketocyclohexa-1,4-dien-1-yl)-3-methyl-butyric acid hexyl ester Formula: C17H24O4 MolecularWeight: 292.37006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C)(C)C1=CC(=O)C=CC1=O

Isomeric SMILES

CCCCCCOC(=O)CC(C)(C)C1=CC(=O)C=CC1=O

InChI

InChI=1S/C17H24O4/c1-4-5-6-7-10-21-16(20)12-17(2,3)14-11-13(18)8-9-15(14)19/h8-9,11H,4-7,10,12H2,1-3H3