4-azanyl-2-oxidanyl-benzoate; butane; oxygen(2-); tin(4+)

Systemtic Name: 4-azanyl-2-oxidanyl-benzoate; butane; oxygen(2-); tin(4+) Openeye Name: tetrastannic; 4-amino-2-hydroxy-benzoate; butane; oxygen(2-) CAS Name: 4-amino-2-hydroxybenzoate; butane; oxygen(2-); tin(4+) IUPAC Name: 4-amino-2-hydroxybenzoate; butane; oxygen(2-); tin(4+) Traditional Name: tetrastannic; 4-amino-2-hydroxy-benzoate; butane; oxygen(2-) Formula: C60H96N4O14Sn4 MolecularWeight: 1572.26264

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].[O-2].[O-2].[Sn+4].[Sn+4].[Sn+4].[Sn+4]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].C1=CC(=C(C=C1N)O)C(=O)[O-].[O-2].[O-2].[Sn+4].[Sn+4].[Sn+4].[Sn+4]

InChI

InChI=1S/4C7H7NO3.8C4H9.2O.4Sn/c4*8-4-1-2-5(7(10)11)6(9)3-4;8*1-3-4-2;;;;;;/h4*1-3,9H,8H2,(H,10,11);8*1,3-4H2,2H3;;;;;;/q;;;;8*-1;2*-2;4*+4/p-4