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

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate; diphenyltin(2+) Openeye Name: 4-(2,5-dioxopyrrol-1-yl)benzoate; diphenyltin(2+) CAS Name: 4-(2,5-dioxo-1-pyrrolyl)benzoate; diphenyltin(2+) IUPAC Name: 4-(2,5-dioxopyrrol-1-yl)benzoate; diphenyltin(2+) Traditional Name: diphenyltin(2+); 4-maleimidobenzoate Formula: C34H22N2O8Sn MolecularWeight: 705.25708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2.C1=CC(=CC=C1C(=O)[O-])N2C(=O)C=CC2=O.C1=CC(=CC=C1C(=O)[O-])N2C(=O)C=CC2=O

Isomeric SMILES

C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2.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/2C11H7NO4.2C6H5.Sn/c2*13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16;2*1-2-4-6-5-3-1;/h2*1-6H,(H,15,16);2*1-5H;/q;;;;+2/p-2