tetrakis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzene-1,2,4,5-tetracarboxylate

Systemtic Name: tetrakis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzene-1,2,4,5-tetracarboxylate Openeye Name: tetrakis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzene-1,2,4,5-tetracarboxylate CAS Name: benzene-1,2,4,5-tetracarboxylic acid tetrakis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: tetrakis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzene-1,2,4,5-tetracarboxylate Traditional Name: benzene-1,2,4,5-tetracarboxylic acid tetrakis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C50H78O8 MolecularWeight: 807.14952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=C(C=C2C(=O)OC3CC(CCC3C(C)C)C)C(=O)OC4CC(CCC4C(C)C)C)C(=O)OC5CC(CCC5C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C=C2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(=O)O[C@@H]4C[C@@H](CC[C@H]4C(C)C)C)C(=O)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C(C)C

InChI

InChI=1S/C50H78O8/c1-27(2)35-17-13-31(9)21-43(35)55-47(51)39-25-41(49(53)57-45-23-33(11)15-19-37(45)29(5)6)42(50(54)58-46-24-34(12)16-20-38(46)30(7)8)26-40(39)48(52)56-44-22-32(10)14-18-36(44)28(3)4/h25-38,43-46H,13-24H2,1-12H3/t31-,32-,33-,34-,35+,36+,37+,38+,43-,44-,45-,46-/m1/s1