[1-(9-methanoyloxydecyl)-3-methyl-5-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [1-(9-methanoyloxydecyl)-3-methyl-5-methylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [1-(9-formyloxydecyl)-3-methyl-5-methylsulfonyl-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [1-(9-formyloxydecyl)-3-methyl-5-methylsulfonyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-(9-formyloxydecyl)-3-methyl-5-methylsulfonyl-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [1-(9-formyloxydecyl)-6-keto-5-mesyl-3-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C21H32O7S MolecularWeight: 428.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=O)C(=C1)S(=O)(=O)C)(CCCCCCCCC(C)OC=O)OC(=O)C

Isomeric SMILES

CC1=CC(C(=O)C(=C1)S(=O)(=O)C)(CCCCCCCCC(C)OC=O)OC(=O)C

InChI

InChI=1S/C21H32O7S/c1-16-13-19(29(4,25)26)20(24)21(14-16,28-18(3)23)12-10-8-6-5-7-9-11-17(2)27-15-22/h13-15,17H,5-12H2,1-4H3