1-adamantyl (1S,2R,5R)-2-oxidanyl-2,5-diphenyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: 1-adamantyl (1S,2R,5R)-2-oxidanyl-2,5-diphenyl-cyclopent-3-ene-1-carboxylate Openeye Name: 1-adamantyl (1S,2R,5R)-2-hydroxy-2,5-diphenyl-cyclopent-3-ene-1-carboxylate CAS Name: (1S,2R,5R)-2-hydroxy-2,5-diphenyl-1-cyclopent-3-enecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (1S,2R,5R)-2-hydroxy-2,5-diphenylcyclopent-3-ene-1-carboxylate Traditional Name: (1S,2R,5R)-2-hydroxy-2,5-diphenyl-cyclopent-3-ene-1-carboxylic acid 1-adamantyl ester Formula: C28H30O3 MolecularWeight: 414.536

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4C(C=CC4(C5=CC=CC=C5)O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)[C@H]4[C@@H](C=C[C@@]4(C5=CC=CC=C5)O)C6=CC=CC=C6

InChI

InChI=1S/C28H30O3/c29-26(31-27-16-19-13-20(17-27)15-21(14-19)18-27)25-24(22-7-3-1-4-8-22)11-12-28(25,30)23-9-5-2-6-10-23/h1-12,19-21,24-25,30H,13-18H2/t19?,20?,21?,24-,25+,27?,28-/m0/s1