methyl 2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)benzoate

Systemtic Name: methyl 2-chloranyl-4-ethylsulfonyl-3-(2-oxidanylidenepropoxy)benzoate Openeye Name: methyl 3-acetonyloxy-2-chloro-4-ethylsulfonyl-benzoate CAS Name: 2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-ethylsulfonyl-3-(2-oxopropoxy)benzoate Traditional Name: 3-acetonyloxy-2-chloro-4-esyl-benzoic acid methyl ester Formula: C13H15ClO6S MolecularWeight: 334.7726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO6S/c1-4-21(17,18)10-6-5-9(13(16)19-3)11(14)12(10)20-7-8(2)15/h5-6H,4,7H2,1-3H3