2-(butan-2-ylamino)ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-(butan-2-ylamino)ethanol; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(sec-butylamino)ethanol CAS Name: 2-(butan-2-ylamino)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-(butan-2-ylamino)ethanol; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(sec-butylamino)ethanol Formula: C12H18N4O8 MolecularWeight: 346.29332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)NCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H15NO/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-3-6(2)7-4-5-8/h1-2,10H;6-8H,3-5H2,1-2H3