[(S)-[(1R,2R,5R)-5-tert-butyl-2-oxidanyl-cyclohexyl]-phenyl-methyl] benzoate

Systemtic Name: [(S)-[(1R,2R,5R)-5-tert-butyl-2-oxidanyl-cyclohexyl]-phenyl-methyl] benzoate Openeye Name: [(S)-[(1R,2R,5R)-5-tert-butyl-2-hydroxy-cyclohexyl]-phenyl-methyl] benzoate CAS Name: benzoic acid [(S)-[(1R,2R,5R)-5-tert-butyl-2-hydroxycyclohexyl]-phenylmethyl] ester IUPAC Name: [(S)-[(1R,2R,5R)-5-tert-butyl-2-hydroxycyclohexyl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(S)-[(1R,2R,5R)-5-tert-butyl-2-hydroxy-cyclohexyl]-phenyl-methyl] ester Formula: C24H30O3 MolecularWeight: 366.4932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30O3/c1-24(2,3)19-14-15-21(25)20(16-19)22(17-10-6-4-7-11-17)27-23(26)18-12-8-5-9-13-18/h4-13,19-22,25H,14-16H2,1-3H3/t19-,20-,21-,22-/m1/s1