2-methyl-1-(methylamino)-1-phenyl-butan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-methyl-1-(methylamino)-1-phenyl-butan-2-ol; 2,4,6-trinitrophenol Openeye Name: 2-methyl-1-(methylamino)-1-phenyl-butan-2-ol; picric acid CAS Name: 2-methyl-1-(methylamino)-1-phenyl-2-butanol; 2,4,6-trinitrophenol IUPAC Name: 2-methyl-1-(methylamino)-1-phenylbutan-2-ol; 2,4,6-trinitrophenol Traditional Name: 2-methyl-1-(methylamino)-1-phenyl-butan-2-ol; picric acid Formula: C18H22N4O8 MolecularWeight: 422.38928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO.C6H3N3O7/c1-4-12(2,14)11(13-3)10-8-6-5-7-9-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9,11,13-14H,4H2,1-3H3;1-2,10H