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

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

Systemtic Name:2-nitro-6-octan-2-yl-phenol
Openeye Name:2-(1-methylheptyl)-6-nitro-phenol
CAS Name:2-nitro-6-octan-2-ylphenol
IUPAC Name:2-nitro-6-octan-2-ylphenol
Traditional Name:2-(1-methylheptyl)-6-nitro-phenol
Formula: C14H21NO3
MolecularWeight: 251.32144
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H21NO3/c1-3-4-5-6-8-11(2)12-9-7-10-13(14(12)16)15(17)18/h7,9-11,16H,3-6,8H2,1-2H3


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