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

Systemtic Name: [3-methyl-5-methylsulfonyl-1-(9-oxidanyldecyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [1-(9-hydroxydecyl)-3-methyl-5-methylsulfonyl-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [1-(9-hydroxydecyl)-3-methyl-5-methylsulfonyl-6-oxo-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1-(9-hydroxydecyl)-3-methyl-5-methylsulfonyl-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid [1-(9-hydroxydecyl)-6-keto-5-mesyl-3-methyl-cyclohexa-2,4-dien-1-yl] ester Formula: C20H32O6S MolecularWeight: 400.52948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O6S/c1-15-13-18(27(4,24)25)19(23)20(14-15,26-17(3)22)12-10-8-6-5-7-9-11-16(2)21/h13-14,16,21H,5-12H2,1-4H3