2-(phenethylamino)ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-(phenethylamino)ethanol; 2,4,6-trinitrophenol Openeye Name: 2-(phenethylamino)ethanol; picric acid CAS Name: 2-(phenethylamino)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-(phenethylamino)ethanol; 2,4,6-trinitrophenol Traditional Name: 2-(phenethylamino)ethanol; picric acid Formula: C16H18N4O8 MolecularWeight: 394.33612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO.C6H3N3O7/c12-9-8-11-7-6-10-4-2-1-3-5-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,11-12H,6-9H2;1-2,10H