1-naphthalen-1-ylethanone; 2,4,6-trinitrophenol

Systemtic Name: 1-naphthalen-1-ylethanone; 2,4,6-trinitrophenol Openeye Name: 1-(1-naphthyl)ethanone; picric acid CAS Name: 1-(1-naphthalenyl)ethanone; 2,4,6-trinitrophenol IUPAC Name: 1-naphthalen-1-ylethanone; 2,4,6-trinitrophenol Traditional Name: 1-(1-naphthyl)ethanone; picric acid Formula: C18H13N3O8 MolecularWeight: 399.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10O.C6H3N3O7/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H,1H3;1-2,10H