4,5-dimethylphenanthrene; 2,4,6-trinitrophenol

Systemtic Name: 4,5-dimethylphenanthrene; 2,4,6-trinitrophenol Openeye Name: 4,5-dimethylphenanthrene; picric acid CAS Name: 4,5-dimethylphenanthrene; 2,4,6-trinitrophenol IUPAC Name: 4,5-dimethylphenanthrene; 2,4,6-trinitrophenol Traditional Name: 4,5-dimethylphenanthrene; picric acid Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C3=C(C=CC=C3C)C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1C3=C(C=CC=C3C)C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14.C6H3N3O7/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-10H,1-2H3;1-2,10H