tert-butyl 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentane-1-carboxylate

Systemtic Name: tert-butyl 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentane-1-carboxylate Openeye Name: tert-butyl 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentanecarboxylate CAS Name: 2-[(4-bromophenyl)thio]-5-(hydroxymethyl)-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentane-1-carboxylate Traditional Name: 2-[(4-bromophenyl)thio]-5-methylol-cyclopentanecarboxylic acid tert-butyl ester Formula: C17H23BrO3S MolecularWeight: 387.33172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrO3S/c1-17(2,3)21-16(20)15-11(10-19)4-9-14(15)22-13-7-5-12(18)6-8-13/h5-8,11,14-15,19H,4,9-10H2,1-3H3