O2-methyl O1,O1-bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethene-1,1,2-tricarboxylate

Systemtic Name: O2-methyl O1,O1-bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] ethene-1,1,2-tricarboxylate Openeye Name: O1,O1-bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] O2-methyl ethene-1,1,2-tricarboxylate CAS Name: ethene-1,1,2-tricarboxylic acid O2-methyl ester O1,O1-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: 2-O-methyl 1-O,1-O-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ethene-1,1,2-tricarboxylate Traditional Name: ethene-1,1,2-tricarboxylic acid O1,O1-bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester O2-methyl ester Formula: C26H42O6 MolecularWeight: 450.60808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(=CC(=O)OC)C(=O)OC2CC(CCC2C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=CC(=O)OC)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C(C)C

InChI

InChI=1S/C26H42O6/c1-15(2)19-10-8-17(5)12-22(19)31-25(28)21(14-24(27)30-7)26(29)32-23-13-18(6)9-11-20(23)16(3)4/h14-20,22-23H,8-13H2,1-7H3/t17-,18-,19+,20+,22-,23-/m1/s1