4,6-bis(azanyl)benzene-1,3-dicarbaldehyde; 2,4,6-trinitrophenol

Systemtic Name: 4,6-bis(azanyl)benzene-1,3-dicarbaldehyde; 2,4,6-trinitrophenol Openeye Name: 4,6-diaminobenzene-1,3-dicarbaldehyde; picric acid CAS Name: 4,6-diaminobenzene-1,3-dicarboxaldehyde; 2,4,6-trinitrophenol IUPAC Name: 4,6-diaminobenzene-1,3-dicarbaldehyde; 2,4,6-trinitrophenol Traditional Name: 4,6-diaminoisophthalaldehyde; picric acid Formula: C20H14N8O16 MolecularWeight: 622.36916

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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-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C(=CC(=C1C=O)N)N)C=O

Isomeric SMILES

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-].C1=C(C(=CC(=C1C=O)N)N)C=O

InChI

InChI=1S/C8H8N2O2.2C6H3N3O7/c9-7-2-8(10)6(4-12)1-5(7)3-11;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,9-10H2;2*1-2,10H