5-nitrofuran-2-carboxylate; tris(2-methyl-2-phenyl-propyl)stannanylium

Systemtic Name: 5-nitrofuran-2-carboxylate; tris(2-methyl-2-phenyl-propyl)stannanylium Openeye Name: 5-nitrofuran-2-carboxylate; tris(2-methyl-2-phenyl-propyl)stannanylium CAS Name: 5-nitro-2-furancarboxylate; tris(2-methyl-2-phenylpropyl)stannanylium IUPAC Name: 5-nitrofuran-2-carboxylate; tris(2-methyl-2-phenylpropyl)stannanylium Traditional Name: 5-nitro-2-furoate; trineophylstannanylium Formula: C35H41NO5Sn MolecularWeight: 674.41374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H13.C5H3NO5.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;7-5(8)3-1-2-4(11-3)6(9)10;/h3*4-8H,1H2,2-3H3;1-2H,(H,7,8);/q;;;;+1/p-1