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

Systemtic Name: dipropan-2-yl (1R,2R,3R,4R)-2-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diisopropyl (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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl (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 diisopropyl ester Formula: C23H32O8 MolecularWeight: 436.49538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O8/c1-7-29-17-10-14(8-9-15(17)24)18-19(21(26)30-12(2)3)16(25)11-23(6,28)20(18)22(27)31-13(4)5/h8-10,12-13,18-20,24,28H,7,11H2,1-6H3/t18-,19-,20-,23+/m0/s1