2,2-bis(chloranyl)-1-phenyl-ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2,2-bis(chloranyl)-1-phenyl-ethanamine; 2,4,6-trinitrophenol Openeye Name: 2,2-dichloro-1-phenyl-ethanamine; picric acid CAS Name: 2,2-dichloro-1-phenylethanamine; 2,4,6-trinitrophenol IUPAC Name: 2,2-dichloro-1-phenylethanamine; 2,4,6-trinitrophenol Traditional Name: (2,2-dichloro-1-phenyl-ethyl)amine; picric acid Formula: C14H12Cl2N4O7 MolecularWeight: 419.17368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9Cl2N.C6H3N3O7/c9-8(10)7(11)6-4-2-1-3-5-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,7-8H,11H2;1-2,10H