[5-methyl-1-(12-oxidanyldodecyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [5-methyl-1-(12-oxidanyldodecyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [1-(12-hydroxydodecyl)-5-methyl-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [1-(12-hydroxydodecyl)-5-methyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-(12-hydroxydodecyl)-5-methyl-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [1-(12-hydroxydodecyl)-6-keto-5-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4/c1-18-14-13-16-21(20(18)24,25-19(2)23)15-11-9-7-5-3-4-6-8-10-12-17-22/h13-14,16,22H,3-12,15,17H2,1-2H3