diethyl (1R,2R,3R,4S)-2-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1R,2R,3R,4S)-2-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1R,2R,3R,4S)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2R,3R,4S)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2R,3R,4S)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2R,3R,4S)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C21H28O8 MolecularWeight: 408.44222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=O)CC(C2C(=O)OCC)(C)O)C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[C@H](C(=O)C[C@]([C@@H]2C(=O)OCC)(C)O)C(=O)OCC)O

InChI

InChI=1S/C21H28O8/c1-5-27-15-10-12(8-9-13(15)22)16-17(19(24)28-6-2)14(23)11-21(4,26)18(16)20(25)29-7-3/h8-10,16-18,22,26H,5-7,11H2,1-4H3/t16-,17-,18-,21-/m0/s1