4-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]butanoic acid CAS Name: 4-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(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)NCCCC(=O)O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2NO4S/c1-7-6-9(13)8(2)12(11(7)14)20(18,19)15-5-3-4-10(16)17/h6,15H,3-5H2,1-2H3,(H,16,17)