bis(2-methoxyethyl) 4-methyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: bis(2-methoxyethyl) 4-methyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: bis(2-methoxyethyl) 4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-4-methyl-2-[4-(methylthio)phenyl]-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methoxyethyl) ester IUPAC Name: bis(2-methoxyethyl) 4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-6-keto-4-methyl-2-[4-(methylthio)phenyl]cyclohexane-1,3-dicarboxylic acid bis(2-methoxyethyl) ester Formula: C22H30O8S MolecularWeight: 454.5338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OCCOC)C2=CC=C(C=C2)SC)C(=O)OCCOC)O

Isomeric SMILES

CC1(CC(=O)C(C(C1C(=O)OCCOC)C2=CC=C(C=C2)SC)C(=O)OCCOC)O

InChI

InChI=1S/C22H30O8S/c1-22(26)13-16(23)18(20(24)29-11-9-27-2)17(14-5-7-15(31-4)8-6-14)19(22)21(25)30-12-10-28-3/h5-8,17-19,26H,9-13H2,1-4H3