[azanyl-(phenylmethylsulfanyl)methylidene]-phenyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: [azanyl-(phenylmethylsulfanyl)methylidene]-phenyl-azanium; 2,4,6-trinitrophenolate Openeye Name: [amino(benzylsulfanyl)methylene]-phenyl-ammonium; 2,4,6-trinitrophenolate CAS Name: [amino-(phenylmethylthio)methylidene]-phenylammonium; 2,4,6-trinitrophenolate IUPAC Name: [amino(benzylsulfanyl)methylidene]-phenylazanium; 2,4,6-trinitrophenolate Traditional Name: [amino-(benzylthio)methylene]-phenyl-ammonium picrate Formula: C20H17N5O7S MolecularWeight: 471.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2S.C6H3N3O7/c15-14(16-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H,11H2,(H2,15,16);1-2,10H