1-oxidanidyl-4-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 1-oxidanidyl-4-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: 4-benzyl-1-oxido-pyridin-1-ium; picric acid CAS Name: 1-oxido-4-(phenylmethyl)pyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 4-benzyl-1-oxidopyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: 4-benzyl-1-oxido-pyridin-1-ium; picric acid Formula: C18H14N4O8 MolecularWeight: 414.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO.C6H3N3O7/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,10H2;1-2,10H