2-[2-(4-bromophenyl)ethylsulfanyl]-5-(hydroxymethyl)cyclopentane-1-carboxylate

Systemtic Name: 2-[2-(4-bromophenyl)ethylsulfanyl]-5-(hydroxymethyl)cyclopentane-1-carboxylate Openeye Name: 2-[2-(4-bromophenyl)ethylsulfanyl]-5-(hydroxymethyl)cyclopentanecarboxylate CAS Name: 2-[2-(4-bromophenyl)ethylthio]-5-(hydroxymethyl)-1-cyclopentanecarboxylate IUPAC Name: 2-[2-(4-bromophenyl)ethylsulfanyl]-5-(hydroxymethyl)cyclopentane-1-carboxylate Traditional Name: 2-[2-(4-bromophenyl)ethylthio]-5-methylol-cyclopentanecarboxylate Formula: C15H18BrO3S- MolecularWeight: 358.27062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CO)C(=O)[O-])SCCC2=CC=C(C=C2)Br

Isomeric SMILES

C1CC(C(C1CO)C(=O)[O-])SCCC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrO3S/c16-12-4-1-10(2-5-12)7-8-20-13-6-3-11(9-17)14(13)15(18)19/h1-2,4-5,11,13-14,17H,3,6-9H2,(H,18,19)/p-1