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

Systemtic Name: 5-chloranyl-4-hexoxy-2-nitro-benzoic acid Openeye Name: 5-chloro-4-hexoxy-2-nitro-benzoic acid CAS Name: 5-chloro-4-hexoxy-2-nitrobenzoic acid IUPAC Name: 5-chloro-4-hexoxy-2-nitrobenzoic acid Traditional Name: 5-chloro-4-hexoxy-2-nitro-benzoic acid Formula: C13H16ClNO5 MolecularWeight: 301.72284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO5/c1-2-3-4-5-6-20-12-8-11(15(18)19)9(13(16)17)7-10(12)14/h7-8H,2-6H2,1H3,(H,16,17)