tris[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C36H62O7 MolecularWeight: 606.87328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(CC(=O)OC2CC(CCC2C(C)C)C)(C(=O)OC3CC(CCC3C(C)C)C)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(CC(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)(C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)O)C(C)C

InChI

InChI=1S/C36H62O7/c1-21(2)27-13-10-24(7)16-30(27)41-33(37)19-36(40,35(39)43-32-18-26(9)12-15-29(32)23(5)6)20-34(38)42-31-17-25(8)11-14-28(31)22(3)4/h21-32,40H,10-20H2,1-9H3/t24-,25-,26-,27+,28+,29+,30-,31-,32-/m1/s1