methyl 4-bromanyl-2-(tert-butylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-bromanyl-2-(tert-butylsulfanylmethyl)benzoate Openeye Name: methyl 4-bromo-2-(tert-butylsulfanylmethyl)benzoate CAS Name: 4-bromo-2-[(tert-butylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(tert-butylsulfanylmethyl)benzoate Traditional Name: 4-bromo-2-[(tert-butylthio)methyl]benzoic acid methyl ester Formula: C13H17BrO2S MolecularWeight: 317.24188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC(=C1)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC(=C1)Br)C(=O)OC

InChI

InChI=1S/C13H17BrO2S/c1-13(2,3)17-8-9-7-10(14)5-6-11(9)12(15)16-4/h5-7H,8H2,1-4H3