4-[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate; dibutyltin(2+)

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate; dibutyltin(2+) Openeye Name: dibutyltin(2+); 4-(2,5-dioxopyrrol-1-yl)benzoate CAS Name: dibutyltin(2+); 4-(2,5-dioxo-1-pyrrolyl)benzoate IUPAC Name: dibutyltin(2+); 4-(2,5-dioxopyrrol-1-yl)benzoate Traditional Name: dibutyltin(2+); 4-maleimidobenzoate Formula: C30H30N2O8Sn MolecularWeight: 665.2778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.C1=CC(=CC=C1C(=O)[O-])N2C(=O)C=CC2=O.C1=CC(=CC=C1C(=O)[O-])N2C(=O)C=CC2=O

Isomeric SMILES

CCCC[Sn+2]CCCC.C1=CC(=CC=C1C(=O)[O-])N2C(=O)C=CC2=O.C1=CC(=CC=C1C(=O)[O-])N2C(=O)C=CC2=O

InChI

InChI=1S/2C11H7NO4.2C4H9.Sn/c2*13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16;2*1-3-4-2;/h2*1-6H,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2