5-[[2,6-bis(chloranyl)phenyl]methoxy]-3-nitro-4-oxidanyl-pentanoic acid

Systemtic Name: 5-[[2,6-bis(chloranyl)phenyl]methoxy]-3-nitro-4-oxidanyl-pentanoic acid Openeye Name: 5-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-3-nitro-pentanoic acid CAS Name: 5-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-3-nitropentanoic acid IUPAC Name: 5-[(2,6-dichlorophenyl)methoxy]-4-hydroxy-3-nitropentanoic acid Traditional Name: 5-(2,6-dichlorobenzyl)oxy-4-hydroxy-3-nitro-valeric acid Formula: C12H13Cl2NO6 MolecularWeight: 338.14072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO6/c13-8-2-1-3-9(14)7(8)5-21-6-11(16)10(15(19)20)4-12(17)18/h1-3,10-11,16H,4-6H2,(H,17,18)