3,7-bis(azanyl)naphthalene-1,5-diol; 2,4,6-trinitrophenol

Systemtic Name: 3,7-bis(azanyl)naphthalene-1,5-diol; 2,4,6-trinitrophenol Openeye Name: 3,7-diaminonaphthalene-1,5-diol; picric acid CAS Name: 3,7-diaminonaphthalene-1,5-diol; 2,4,6-trinitrophenol IUPAC Name: 3,7-diaminonaphthalene-1,5-diol; 2,4,6-trinitrophenol Traditional Name: 3,7-diaminonaphthalene-1,5-diol; picric acid Formula: C22H16N8O16 MolecularWeight: 648.40644

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=CC(=CC(=C21)O)N)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=CC(=CC(=C21)O)N)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O2.2C6H3N3O7/c11-5-1-7-8(10(14)3-5)2-6(12)4-9(7)13;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4,13-14H,11-12H2;2*1-2,10H