4-azanylbenzenesulfonate; oxaldehydate; titanium(4+)

Systemtic Name: 4-azanylbenzenesulfonate; oxaldehydate; titanium(4+) Openeye Name: 4-aminobenzenesulfonate; oxaldehydate; titanium(4+) CAS Name: 4-aminobenzenesulfonate; oxaldehydate; titanium(4+) IUPAC Name: 4-aminobenzenesulfonate; oxaldehydate; titanium(4+) Traditional Name: 4-aminobesylate; glyoxylate; titanium(4+) Formula: C26H25N4O15S4Ti- MolecularWeight: 809.6215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].C(=O)C(=O)[O-].[Ti+4]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)[O-].C(=O)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C6H7NO3S.C2H2O3.Ti/c4*7-5-1-3-6(4-2-5)11(8,9)10;3-1-2(4)5;/h4*1-4H,7H2,(H,8,9,10);1H,(H,4,5);/q;;;;;+4/p-5