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

Systemtic Name: 3-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]propanoic acid CAS Name: 3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]propionic acid Formula: C11H13Cl2NO4S MolecularWeight: 326.19622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13Cl2NO4S/c1-6-5-8(12)7(2)11(10(6)13)19(17,18)14-4-3-9(15)16/h5,14H,3-4H2,1-2H3,(H,15,16)