tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methylsulfanyl]cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methylsulfanyl]cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methylsulfanyl]cyclopentanecarboxylate CAS Name: (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methylthio]-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methylsulfanyl]cyclopentane-1-carboxylate Traditional Name: (1R,2R,5S)-2-methylol-5-[(4-phenylbenzyl)thio]cyclopentanecarboxylic acid tert-butyl ester Formula: C24H30O3S MolecularWeight: 398.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCC1SCC2=CC=C(C=C2)C3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SCC2=CC=C(C=C2)C3=CC=CC=C3)CO

InChI

InChI=1S/C24H30O3S/c1-24(2,3)27-23(26)22-20(15-25)13-14-21(22)28-16-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20-22,25H,13-16H2,1-3H3/t20-,21-,22-/m0/s1