3,4,5,6-tetrakis(oxidanyl)hexanal; 2,4,6-trinitrophenol

Systemtic Name: 3,4,5,6-tetrakis(oxidanyl)hexanal; 2,4,6-trinitrophenol Openeye Name: picric acid; 3,4,5,6-tetrahydroxyhexanal CAS Name: 3,4,5,6-tetrahydroxyhexanal; 2,4,6-trinitrophenol IUPAC Name: 3,4,5,6-tetrahydroxyhexanal; 2,4,6-trinitrophenol Traditional Name: picric acid; 3,4,5,6-tetrahydroxyhexanal Formula: C12H15N3O12 MolecularWeight: 393.2604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H12O5/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-2-1-4(9)6(11)5(10)3-8/h1-2,10H;2,4-6,8-11H,1,3H2