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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] hexahelicene-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] hexahelicene-2-carboxylate CAS Name: 2-hexahelicenecarboxylic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] hexahelicene-2-carboxylate Traditional Name: hexahelicene-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C37H34O2 MolecularWeight: 510.66466

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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=CC=CC=C7C=C6)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=CC=CC=C7C=C6)C=C2)C(C)C

InChI

InChI=1S/C37H34O2/c1-22(2)30-19-8-23(3)20-33(30)39-37(38)29-18-11-25-10-13-27-15-17-28-16-14-26-12-9-24-6-4-5-7-31(24)34(26)36(28)35(27)32(25)21-29/h4-7,9-18,21-23,30,33H,8,19-20H2,1-3H3/t23-,30+,33-/m0/s1