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

Systemtic Name: bis(2-methylpropyl) (1R,2R,3R,4R)-2-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisobutyl (1R,2R,3R,4R)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1R,2R,3R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) (1R,2R,3R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1R,2R,3R,4R)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diisobutyl ester Formula: C25H36O8 MolecularWeight: 464.54854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O8/c1-7-31-19-10-16(8-9-17(19)26)20-21(23(28)32-12-14(2)3)18(27)11-25(6,30)22(20)24(29)33-13-15(4)5/h8-10,14-15,20-22,26,30H,7,11-13H2,1-6H3/t20-,21-,22-,25+/m0/s1