2-chloranyl-3-(dimethoxymethyl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-(dimethoxymethyl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(dimethoxymethyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(dimethoxymethyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(dimethoxymethyl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-(dimethoxymethyl)-4-mesyl-benzoic acid Formula: C11H13ClO6S MolecularWeight: 308.73532

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C)OC

Isomeric SMILES

COC(C1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C11H13ClO6S/c1-17-11(18-2)8-7(19(3,15)16)5-4-6(9(8)12)10(13)14/h4-5,11H,1-3H3,(H,13,14)