2-chloranyl-3,5-dimethyl-4-methylsulfonyl-benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-3,5-dimethyl-4-methylsulfonyl-benzenecarbothioic S-acid Openeye Name: 2-chloro-3,5-dimethyl-4-methylsulfonyl-benzenecarbothioic S-acid CAS Name: 2-chloro-3,5-dimethyl-4-methylsulfonylbenzenecarbothioic S-acid IUPAC Name: 2-chloro-3,5-dimethyl-4-methylsulfonylbenzenecarbothioic S-acid Traditional Name: 2-chloro-4-mesyl-3,5-dimethyl-thiobenzoic acid Formula: C10H11ClO3S2 MolecularWeight: 278.77554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO3S2/c1-5-4-7(10(12)15)8(11)6(2)9(5)16(3,13)14/h4H,1-3H3,(H,12,15)