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

Systemtic Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-(4-phenylphenyl)sulfanyl-cyclopentanecarboxylate CAS Name: (1R,2R,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)thio]-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R,5S)-2-(hydroxymethyl)-5-(4-phenylphenyl)sulfanylcyclopentane-1-carboxylate Traditional Name: (1R,2R,5S)-2-methylol-5-[(4-phenylphenyl)thio]cyclopentanecarboxylic acid tert-butyl ester Formula: C23H28O3S MolecularWeight: 384.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CCC1SC2=CC=C(C=C2)C3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SC2=CC=C(C=C2)C3=CC=CC=C3)CO

InChI

InChI=1S/C23H28O3S/c1-23(2,3)26-22(25)21-18(15-24)11-14-20(21)27-19-12-9-17(10-13-19)16-7-5-4-6-8-16/h4-10,12-13,18,20-21,24H,11,14-15H2,1-3H3/t18-,20-,21-/m0/s1