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4-hexyl-3-nitro-benzoic acid

4-hexyl-3-nitro-benzoic acid

Systemtic Name:4-hexyl-3-nitro-benzoic acid
Openeye Name:4-hexyl-3-nitro-benzoic acid
CAS Name:4-hexyl-3-nitrobenzoic acid
IUPAC Name:4-hexyl-3-nitrobenzoic acid
Traditional Name:4-hexyl-3-nitro-benzoic acid
Formula: C13H17NO4
MolecularWeight: 251.27838
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17NO4/c1-2-3-4-5-6-10-7-8-11(13(15)16)9-12(10)14(17)18/h7-9H,2-6H2,1H3,(H,15,16)


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