2-(4-bromophenyl)-3-methyl-butanethioic S-acid

Systemtic Name: 2-(4-bromophenyl)-3-methyl-butanethioic S-acid Openeye Name: 2-(4-bromophenyl)-3-methyl-butanethioic S-acid CAS Name: 2-(4-bromophenyl)-3-methylbutanethioic S-acid IUPAC Name: 2-(4-bromophenyl)-3-methylbutanethioic S-acid Traditional Name: 2-(4-bromophenyl)-3-methyl-thiobutyric acid Formula: C11H13BrOS MolecularWeight: 273.18932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Br)C(=O)S

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Br)C(=O)S

InChI

InChI=1S/C11H13BrOS/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)