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

Systemtic Name: 3-(acetyloxymethyl)-2-chloranyl-4-methylsulfonyl-benzoic acid Openeye Name: 3-(acetoxymethyl)-2-chloro-4-methylsulfonyl-benzoic acid CAS Name: 3-(acetyloxymethyl)-2-chloro-4-methylsulfonylbenzoic acid IUPAC Name: 3-(acetyloxymethyl)-2-chloro-4-methylsulfonylbenzoic acid Traditional Name: 3-(acetoxymethyl)-2-chloro-4-mesyl-benzoic acid Formula: C11H11ClO6S MolecularWeight: 306.71944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C11H11ClO6S/c1-6(13)18-5-8-9(19(2,16)17)4-3-7(10(8)12)11(14)15/h3-4H,5H2,1-2H3,(H,14,15)