2-phenylethanal; 2,4,6-trinitrophenol

Systemtic Name: 2-phenylethanal; 2,4,6-trinitrophenol Openeye Name: 2-phenylacetaldehyde; picric acid CAS Name: 2-phenylacetaldehyde; 2,4,6-trinitrophenol IUPAC Name: 2-phenylacetaldehyde; 2,4,6-trinitrophenol Traditional Name: 2-phenylacetaldehyde; picric acid Formula: C14H11N3O8 MolecularWeight: 349.25244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O.C6H3N3O7/c9-7-6-8-4-2-1-3-5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,7H,6H2;1-2,10H