[5-methyl-6-oxidanylidene-1-(13-oxidanyltridecyl)cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [5-methyl-6-oxidanylidene-1-(13-oxidanyltridecyl)cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [1-(13-hydroxytridecyl)-5-methyl-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [1-(13-hydroxytridecyl)-5-methyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-(13-hydroxytridecyl)-5-methyl-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [1-(13-hydroxytridecyl)-6-keto-5-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C22H36O4 MolecularWeight: 364.51884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1=O)(CCCCCCCCCCCCCO)OC(=O)C

Isomeric SMILES

CC1=CC=CC(C1=O)(CCCCCCCCCCCCCO)OC(=O)C

InChI

InChI=1S/C22H36O4/c1-19-15-14-17-22(21(19)25,26-20(2)24)16-12-10-8-6-4-3-5-7-9-11-13-18-23/h14-15,17,23H,3-13,16,18H2,1-2H3