2-(propan-2-ylamino)butan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-(propan-2-ylamino)butan-1-ol; 2,4,6-trinitrophenol Openeye Name: 2-(isopropylamino)butan-1-ol; picric acid CAS Name: 2-(propan-2-ylamino)-1-butanol; 2,4,6-trinitrophenol IUPAC Name: 2-(propan-2-ylamino)butan-1-ol; 2,4,6-trinitrophenol Traditional Name: 2-(isopropylamino)butan-1-ol; picric acid Formula: C13H20N4O8 MolecularWeight: 360.3199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H17NO.C6H3N3O7/c1-4-7(5-9)8-6(2)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9H,4-5H2,1-3H3;1-2,10H