3-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]butanoic acid Openeye Name: 3-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]butyric acid Formula: C12H15Cl2NO4S MolecularWeight: 340.2228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)NC(C)CC(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)NC(C)CC(=O)O)C)Cl

InChI

InChI=1S/C12H15Cl2NO4S/c1-6-4-9(13)8(3)12(11(6)14)20(18,19)15-7(2)5-10(16)17/h4,7,15H,5H2,1-3H3,(H,16,17)