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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentane-1-carboxylate Openeye Name: 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentanecarboxylate CAS Name: 2-[(4-bromophenyl)thio]-5-(hydroxymethyl)-1-cyclopentanecarboxylate IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-(hydroxymethyl)cyclopentane-1-carboxylate Traditional Name: 2-[(4-bromophenyl)thio]-5-methylol-cyclopentanecarboxylate Formula: C13H14BrO3S- MolecularWeight: 330.21746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CO)C(=O)[O-])SC2=CC=C(C=C2)Br

Isomeric SMILES

C1CC(C(C1CO)C(=O)[O-])SC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrO3S/c14-9-2-4-10(5-3-9)18-11-6-1-8(7-15)12(11)13(16)17/h2-5,8,11-12,15H,1,6-7H2,(H,16,17)/p-1