2-[2-(dimethylaminomethyl)-3,4-dimethyl-phenyl]propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-[2-(dimethylaminomethyl)-3,4-dimethyl-phenyl]propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 2-[2-(dimethylaminomethyl)-3,4-dimethyl-phenyl]propan-2-ol; picric acid CAS Name: 2-[2-(dimethylaminomethyl)-3,4-dimethylphenyl]-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 2-[2-(dimethylaminomethyl)-3,4-dimethylphenyl]propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 2-[2-(dimethylaminomethyl)-3,4-dimethyl-phenyl]propan-2-ol; picric acid Formula: C20H26N4O8 MolecularWeight: 450.44244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)(C)O)CN(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)(C)O)CN(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H23NO.C6H3N3O7/c1-10-7-8-13(14(3,4)16)12(11(10)2)9-15(5)6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,16H,9H2,1-6H3;1-2,10H