tetrakis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] naphthalene-1,2,3,4-tetracarboxylate

Systemtic Name: tetrakis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] naphthalene-1,2,3,4-tetracarboxylate Openeye Name: tetrakis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] naphthalene-1,2,3,4-tetracarboxylate CAS Name: naphthalene-1,2,3,4-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] naphthalene-1,2,3,4-tetracarboxylate Traditional Name: naphthalene-1,2,3,4-tetracarboxylic acid tetrakis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C54H80O8 MolecularWeight: 857.2082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(C(=C(C3=CC=CC=C32)C(=O)OC4CC(CCC4C(C)C)C)C(=O)OC5CC(CCC5C(C)C)C)C(=O)OC6CC(CCC6C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C(=C(C3=CC=CC=C32)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(=O)O[C@@H]6C[C@@H](CC[C@H]6C(C)C)C)C(C)C

InChI

InChI=1S/C54H80O8/c1-29(2)37-21-17-33(9)25-43(37)59-51(55)47-41-15-13-14-16-42(41)48(52(56)60-44-26-34(10)18-22-38(44)30(3)4)50(54(58)62-46-28-36(12)20-24-40(46)32(7)8)49(47)53(57)61-45-27-35(11)19-23-39(45)31(5)6/h13-16,29-40,43-46H,17-28H2,1-12H3/t33-,34-,35-,36-,37+,38+,39+,40+,43-,44-,45-,46-/m1/s1