2-nitro-6-octan-4-yl-phenol

Systemtic Name: 2-nitro-6-octan-4-yl-phenol Openeye Name: 2-nitro-6-(1-propylpentyl)phenol CAS Name: 2-nitro-6-octan-4-ylphenol IUPAC Name: 2-nitro-6-octan-4-ylphenol Traditional Name: 2-nitro-6-(1-propylpentyl)phenol Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C(=CC=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCC(CCC)C1=C(C(=CC=C1)[N+](=O)[O-])O

InChI

InChI=1S/C14H21NO3/c1-3-5-8-11(7-4-2)12-9-6-10-13(14(12)16)15(17)18/h6,9-11,16H,3-5,7-8H2,1-2H3