2-bromanyl-5-methyl-benzenecarbothioic S-acid

Systemtic Name: 2-bromanyl-5-methyl-benzenecarbothioic S-acid Openeye Name: 2-bromo-5-methyl-benzenecarbothioic S-acid CAS Name: 2-bromo-5-methylbenzenecarbothioic S-acid IUPAC Name: 2-bromo-5-methylbenzenecarbothioic S-acid Traditional Name: 2-bromo-5-methyl-thiobenzoic acid Formula: C8H7BrOS MolecularWeight: 231.10958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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