3,3-dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione

Systemtic Name: 3,3-dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione Openeye Name: 3,3-dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione CAS Name: 3,3-dibutyl-6-nitro-2,4,3-benzodioxastannepin-1,5-dione IUPAC Name: 3,3-dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione Traditional Name: 4,4-dibutyl-8-nitro-3,5-dioxa-4-stannabicyclo[5.4.0]undeca-1(7),8,10-triene-2,6-quinone Formula: C16H21NO6Sn MolecularWeight: 442.05104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]1(OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)CCCC

Isomeric SMILES

CCCC[Sn]1(OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)CCCC

InChI

InChI=1S/C8H5NO6.2C4H9.Sn/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13;2*1-3-4-2;/h1-3H,(H,10,11)(H,12,13);2*1,3-4H2,2H3;/q;;;+2/p-2