6-[[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(2,2,2-trichloro-1-hydroxy-ethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[(2,2,2-trichloro-1-hydroxyethyl)amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(2,2,2-trichloro-1-hydroxyethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(2,2,2-trichloro-1-hydroxy-ethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C10H12Cl3NO4 MolecularWeight: 316.56558

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC(C(Cl)(Cl)Cl)O)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC(C(Cl)(Cl)Cl)O)C(=O)O

InChI

InChI=1S/C10H12Cl3NO4/c11-10(12,13)9(18)14-7(15)5-3-1-2-4-6(5)8(16)17/h1-2,5-6,9,18H,3-4H2,(H,14,15)(H,16,17)