2-phenylethynylbenzene; 2,4,6-trinitrophenol

Systemtic Name: 2-phenylethynylbenzene; 2,4,6-trinitrophenol Openeye Name: 2-phenylethynylbenzene; picric acid CAS Name: 2-phenylethynylbenzene; 2,4,6-trinitrophenol IUPAC Name: 2-phenylethynylbenzene; 2,4,6-trinitrophenol Traditional Name: 2-phenylethynylbenzene; picric acid Formula: C20H13N3O7 MolecularWeight: 407.33312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10.C6H3N3O7/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H