6-(4-chloranyl-2-methanoyl-3-nitro-phenoxy)hexanoic acid

Systemtic Name: 6-(4-chloranyl-2-methanoyl-3-nitro-phenoxy)hexanoic acid Openeye Name: 6-(4-chloro-2-formyl-3-nitro-phenoxy)hexanoic acid CAS Name: 6-(4-chloro-2-formyl-3-nitrophenoxy)hexanoic acid IUPAC Name: 6-(4-chloro-2-formyl-3-nitrophenoxy)hexanoic acid Traditional Name: 6-(4-chloro-2-formyl-3-nitro-phenoxy)hexanoic acid Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1OCCCCCC(=O)O)C=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C(=C1OCCCCCC(=O)O)C=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClNO6/c14-10-5-6-11(9(8-16)13(10)15(19)20)21-7-3-1-2-4-12(17)18/h5-6,8H,1-4,7H2,(H,17,18)