2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)benzoic acid

Systemtic Name: 2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)benzoic acid Openeye Name: 3-acetonyloxy-2-chloro-4-ethylsulfonyl-benzoic acid CAS Name: 2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoic acid IUPAC Name: 2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoic acid Traditional Name: 3-acetonyloxy-2-chloro-4-esyl-benzoic acid Formula: C12H13ClO6S MolecularWeight: 320.74602

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC(=O)C

InChI

InChI=1S/C12H13ClO6S/c1-3-20(17,18)9-5-4-8(12(15)16)10(13)11(9)19-6-7(2)14/h4-5H,3,6H2,1-2H3,(H,15,16)