2-chloranyl-4-ethylsulfonyl-3-methoxy-benzoic acid; N,N-diethylmethanamide

Systemtic Name: 2-chloranyl-4-ethylsulfonyl-3-methoxy-benzoic acid; N,N-diethylmethanamide Openeye Name: 2-chloro-4-ethylsulfonyl-3-methoxy-benzoic acid; N,N-diethylformamide CAS Name: 2-chloro-4-ethylsulfonyl-3-methoxybenzoic acid; N,N-diethylformamide IUPAC Name: 2-chloro-4-ethylsulfonyl-3-methoxybenzoic acid; N,N-diethylformamide Traditional Name: 2-chloro-4-esyl-3-methoxy-benzoic acid; N,N-diethylformamide Formula: C15H22ClNO6S MolecularWeight: 379.85628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C=O.CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OC

Isomeric SMILES

CCN(CC)C=O.CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OC

InChI

InChI=1S/C10H11ClO5S.C5H11NO/c1-3-17(14,15)7-5-4-6(10(12)13)8(11)9(7)16-2;1-3-6(4-2)5-7/h4-5H,3H2,1-2H3,(H,12,13);5H,3-4H2,1-2H3