2,5-bis(chloranyl)benzoic acid; butylsulfonylmethanamine

Systemtic Name: 2,5-bis(chloranyl)benzoic acid; butylsulfonylmethanamine Openeye Name: butylsulfonylmethanamine; 2,5-dichlorobenzoic acid CAS Name: butylsulfonylmethanamine; 2,5-dichlorobenzoic acid IUPAC Name: butylsulfonylmethanamine; 2,5-dichlorobenzoic acid Traditional Name: butylsulfonylmethylamine; 2,5-dichlorobenzoic acid Formula: C12H17Cl2NO4S MolecularWeight: 342.23868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CN.C1=CC(=C(C=C1Cl)C(=O)O)Cl

Isomeric SMILES

CCCCS(=O)(=O)CN.C1=CC(=C(C=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C7H4Cl2O2.C5H13NO2S/c8-4-1-2-6(9)5(3-4)7(10)11;1-2-3-4-9(7,8)5-6/h1-3H,(H,10,11);2-6H2,1H3