2-hexan-2-yl-4-nitro-phenol

Systemtic Name: 2-hexan-2-yl-4-nitro-phenol Openeye Name: 2-(1-methylpentyl)-4-nitro-phenol CAS Name: 2-hexan-2-yl-4-nitrophenol IUPAC Name: 2-hexan-2-yl-4-nitrophenol Traditional Name: 2-(1-methylpentyl)-4-nitro-phenol Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-3-4-5-9(2)11-8-10(13(15)16)6-7-12(11)14/h6-9,14H,3-5H2,1-2H3