zinc [2-(phenylcarbonyl)-4-sulfo-phenyl]azanide trihydrate

Systemtic Name: zinc [2-(phenylcarbonyl)-4-sulfo-phenyl]azanide trihydrate Openeye Name: zinc (2-benzoyl-4-sulfo-phenyl)azanide trihydrate CAS Name: zinc (2-benzoyl-4-sulfophenyl)azanide trihydrate IUPAC Name: zinc (2-benzoyl-4-sulfophenyl)azanide trihydrate Traditional Name: zinc (2-benzoyl-4-sulfo-phenyl)azanide trihydrate Formula: C26H26N2O11S2Zn MolecularWeight: 672.03044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)[NH-].C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)[NH-].O.O.O.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)[NH-].C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)[NH-].O.O.O.[Zn+2]

InChI

InChI=1S/2C13H11NO4S.3H2O.Zn/c2*14-12-7-6-10(19(16,17)18)8-11(12)13(15)9-4-2-1-3-5-9;;;;/h2*1-8H,(H3,14,15,16,17,18);3*1H2;/q;;;;;+2/p-2