5-chloranyl-4-hexyl-2-nitro-benzoic acid

Systemtic Name: 5-chloranyl-4-hexyl-2-nitro-benzoic acid Openeye Name: 5-chloro-4-hexyl-2-nitro-benzoic acid CAS Name: 5-chloro-4-hexyl-2-nitrobenzoic acid IUPAC Name: 5-chloro-4-hexyl-2-nitrobenzoic acid Traditional Name: 5-chloro-4-hexyl-2-nitro-benzoic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO4/c1-2-3-4-5-6-9-7-12(15(18)19)10(13(16)17)8-11(9)14/h7-8H,2-6H2,1H3,(H,16,17)