3-bromanyl-4-methyl-benzenecarbothioic S-acid

Systemtic Name: 3-bromanyl-4-methyl-benzenecarbothioic S-acid Openeye Name: 3-bromo-4-methyl-benzenecarbothioic S-acid CAS Name: 3-bromo-4-methylbenzenecarbothioic S-acid IUPAC Name: 3-bromo-4-methylbenzenecarbothioic S-acid Traditional Name: 3-bromo-4-methyl-thiobenzoic acid Formula: C8H7BrOS MolecularWeight: 231.10958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7BrOS/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)