8-oxidanylquinoline-2-carboxylate; tributylstannanylium

Systemtic Name: 8-oxidanylquinoline-2-carboxylate; tributylstannanylium Openeye Name: 8-hydroxyquinoline-2-carboxylate; tributylstannanylium CAS Name: 8-hydroxy-2-quinolinecarboxylate; tributylstannanylium IUPAC Name: 8-hydroxyquinoline-2-carboxylate; tributylstannanylium Traditional Name: 8-hydroxyquinaldate; tributylstannanylium Formula: C52H51N4O12Sn-3 MolecularWeight: 1042.69094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+](CCCC)CCCC.C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCC[Sn+](CCCC)CCCC.C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-]

InChI

InChI=1S/4C10H7NO3.3C4H9.Sn/c4*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;3*1-3-4-2;/h4*1-5,12H,(H,13,14);3*1,3-4H2,2H3;/q;;;;;;;+1/p-4