dimethyl (1R,2R,3R,4R)-2-(3-methoxy-4-propoxy-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(C(=O)CC(C2C(=O)OC)(C)O)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2[C@H](C(=O)C[C@@]([C@@H]2C(=O)OC)(C)O)C(=O)OC)OC

InChI

InChI=1S/C21H28O8/c1-6-9-29-14-8-7-12(10-15(14)26-3)16-17(19(23)27-4)13(22)11-21(2,25)18(16)20(24)28-5/h7-8,10,16-18,25H,6,9,11H2,1-5H3/t16-,17-,18-,21+/m0/s1