bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] hexahelicene-2,15-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] hexahelicene-2,15-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] hexahelicene-2,15-dicarboxylate CAS Name: hexahelicene-2,15-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] hexahelicene-2,15-dicarboxylate Traditional Name: hexahelicene-2,15-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C48H52O4 MolecularWeight: 692.92408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=CC4=C3C5=C(C=C4)C=CC6=C5C7=C(C=C6)C=CC(=C7)C(=O)OC8CC(CCC8C(C)C)C)C=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC3=C(C=CC4=C3C5=C(C=C4)C=CC6=C5C7=C(C=C6)C=CC(=C7)C(=O)O[C@@H]8C[C@@H](CC[C@H]8C(C)C)C)C=C2)C(C)C

InChI

InChI=1S/C48H52O4/c1-27(2)38-21-7-29(5)23-42(38)51-47(49)36-19-11-31-9-13-33-15-17-35-18-16-34-14-10-32-12-20-37(26-41(32)45(34)46(35)44(33)40(31)25-36)48(50)52-43-24-30(6)8-22-39(43)28(3)4/h9-20,25-30,38-39,42-43H,7-8,21-24H2,1-6H3/t29-,30-,38+,39+,42-,43-/m1/s1