3-bromanyl-2,6-dimethyl-benzenecarbothioic S-acid

Systemtic Name: 3-bromanyl-2,6-dimethyl-benzenecarbothioic S-acid Openeye Name: 3-bromo-2,6-dimethyl-benzenecarbothioic S-acid CAS Name: 3-bromo-2,6-dimethylbenzenecarbothioic S-acid IUPAC Name: 3-bromo-2,6-dimethylbenzenecarbothioic S-acid Traditional Name: 3-bromo-2,6-dimethyl-thiobenzoic acid Formula: C9H9BrOS MolecularWeight: 245.13616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Br)C)C(=O)S

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)C(=O)S

InChI

InChI=1S/C9H9BrOS/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)