dioctyltin(2+); 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: dioctyltin(2+); 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: dioctyltin(2+); 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: dioctyltin(2+); 6-nitro-1,3-benzodioxole-5-carboxylate IUPAC Name: dioctyltin(2+); 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: dioctyltin(2+); 6-nitro-piperonylate Formula: C32H42N2O12Sn MolecularWeight: 765.39208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])[N+](=O)[O-].C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])[N+](=O)[O-].C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/2C8H5NO6.2C8H17.Sn/c2*10-8(11)4-1-6-7(15-3-14-6)2-5(4)9(12)13;2*1-3-5-7-8-6-4-2;/h2*1-2H,3H2,(H,10,11);2*1,3-8H2,2H3;/q;;;;+2/p-2