dioctyltin; 2,4,6-trinitrophenol

Systemtic Name: dioctyltin; 2,4,6-trinitrophenol Openeye Name: dioctyltin; picric acid CAS Name: dioctyltin; 2,4,6-trinitrophenol IUPAC Name: dioctyltin; 2,4,6-trinitrophenol Traditional Name: dioctyltin; picric acid Formula: C28H40N6O14Sn MolecularWeight: 803.359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn]CCCCCCCC.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

CCCCCCCC[Sn]CCCCCCCC.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/2C8H17.2C6H3N3O7.Sn/c2*1-3-5-7-8-6-4-2;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1,3-8H2,2H3;2*1-2,10H;