1-(3-methylbutylamino)propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-(3-methylbutylamino)propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-(isopentylamino)propan-2-ol; picric acid CAS Name: 1-(3-methylbutylamino)-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-(3-methylbutylamino)propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-(isoamylamino)propan-2-ol; picric acid Formula: C14H22N4O8 MolecularWeight: 374.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H19NO.C6H3N3O7/c1-7(2)4-5-9-6-8(3)10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-10H,4-6H2,1-3H3;1-2,10H