S-tert-butyl 3-(4-bromophenyl)propanethioate

Systemtic Name: S-tert-butyl 3-(4-bromophenyl)propanethioate Openeye Name: S-tert-butyl 3-(4-bromophenyl)propanethioate CAS Name: 3-(4-bromophenyl)propanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 3-(4-bromophenyl)propanethioate Traditional Name: 3-(4-bromophenyl)propanethioic acid S-tert-butyl ester Formula: C13H17BrOS MolecularWeight: 301.24248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CCC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)(C)SC(=O)CCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H17BrOS/c1-13(2,3)16-12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3