2,6-bis(chloranyl)-3-(2-diethylaminoethylsulfonyl)benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-(2-diethylaminoethylsulfonyl)benzoic acid Openeye Name: 2,6-dichloro-3-(2-diethylaminoethylsulfonyl)benzoic acid CAS Name: 2,6-dichloro-3-(2-diethylaminoethylsulfonyl)benzoic acid IUPAC Name: 2,6-dichloro-3-(2-diethylaminoethylsulfonyl)benzoic acid Traditional Name: 2,6-dichloro-3-(2-diethylaminoethylsulfonyl)benzoic acid Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2NO4S/c1-3-16(4-2)7-8-21(19,20)10-6-5-9(14)11(12(10)15)13(17)18/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)