3-chloranyl-5-methylsulfonyl-4-phenyl-benzenecarbothioic S-acid

Systemtic Name: 3-chloranyl-5-methylsulfonyl-4-phenyl-benzenecarbothioic S-acid Openeye Name: 3-chloro-5-methylsulfonyl-4-phenyl-benzenecarbothioic S-acid CAS Name: 3-chloro-5-methylsulfonyl-4-phenylbenzenecarbothioic S-acid IUPAC Name: 3-chloro-5-methylsulfonyl-4-phenylbenzenecarbothioic S-acid Traditional Name: 3-chloro-5-mesyl-4-phenyl-thiobenzoic acid Formula: C14H11ClO3S2 MolecularWeight: 326.81834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC(=C1)C(=O)S)Cl)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC(=C1)C(=O)S)Cl)C2=CC=CC=C2

InChI

InChI=1S/C14H11ClO3S2/c1-20(17,18)12-8-10(14(16)19)7-11(15)13(12)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,19)