4-chloranyl-3-methyl-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 4-chloranyl-3-methyl-1-oxidanidyl-pyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: 4-chloro-3-methyl-1-oxido-pyridin-1-ium; picric acid CAS Name: 4-chloro-3-methyl-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 4-chloro-3-methyl-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: 4-chloro-3-methyl-1-oxido-pyridin-1-ium; picric acid Formula: C12H9ClN4O8 MolecularWeight: 372.67486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1)[O-])Cl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C[N+](=C1)[O-])Cl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H6ClNO.C6H3N3O7/c1-5-4-8(9)3-2-6(5)7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4H,1H3;1-2,10H