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

Systemtic Name: 2-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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