2-chloranyl-3-ethyl-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-ethyl-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-ethyl-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-ethyl-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-ethyl-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-ethyl-4-mesyl-benzoic acid Formula: C10H11ClO4S MolecularWeight: 262.70994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C10H11ClO4S/c1-3-6-8(16(2,14)15)5-4-7(9(6)11)10(12)13/h4-5H,3H2,1-2H3,(H,12,13)