6-nitro-1,3-benzodioxole-5-carboxylate; triphenylstannanylium

Systemtic Name: 6-nitro-1,3-benzodioxole-5-carboxylate; triphenylstannanylium Openeye Name: 6-nitro-1,3-benzodioxole-5-carboxylate; triphenylstannanylium CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylate; triphenylstannanylium IUPAC Name: 6-nitro-1,3-benzodioxole-5-carboxylate; triphenylstannanylium Traditional Name: 6-nitro-piperonylate; triphenylstannanylium Formula: C26H19NO6Sn MolecularWeight: 560.14216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])[N+](=O)[O-].C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C8H5NO6.3C6H5.Sn/c10-8(11)4-1-6-7(15-3-14-6)2-5(4)9(12)13;3*1-2-4-6-5-3-1;/h1-2H,3H2,(H,10,11);3*1-5H;/q;;;;+1/p-1