zinc; (3Z)-4-azanylidene-3-[oxidanidyl(phenyl)methylidene]cyclohexa-1,5-diene-1-sulfonate; hydron; trihydrate

Systemtic Name: zinc; (3Z)-4-azanylidene-3-[oxidanidyl(phenyl)methylidene]cyclohexa-1,5-diene-1-sulfonate; hydron; trihydrate Openeye Name: zinc; hydron; (3Z)-4-imino-3-[oxido(phenyl)methylene]cyclohexa-1,5-diene-1-sulfonate; trihydrate CAS Name: zinc; hydron; (3Z)-4-imino-3-[oxido(phenyl)methylidene]-1-cyclohexa-1,5-dienesulfonate; trihydrate IUPAC Name: zinc; hydron; (3Z)-4-imino-3-[oxido(phenyl)methylidene]cyclohexa-1,5-diene-1-sulfonate; trihydrate Traditional Name: zinc; hydron; (3Z)-4-imino-3-[oxido(phenyl)methylene]cyclohexa-1,5-diene-1-sulfonate; trihydrate Formula: C26H26N2O11S2Zn MolecularWeight: 672.03044

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].C1=CC=C(C=C1)C(=C2C=C(C=CC2=N)S(=O)(=O)[O-])[O-].C1=CC=C(C=C1)C(=C2C=C(C=CC2=N)S(=O)(=O)[O-])[O-].O.O.O.[Zn+2]

Isomeric SMILES

[H+].[H+].C1=CC=C(C=C1)/C(=C\2/C(=N)C=CC(=C2)S(=O)(=O)[O-])/[O-].C1=CC=C(C=C1)/C(=C\2/C(=N)C=CC(=C2)S(=O)(=O)[O-])/[O-].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*1-8,14-15H,(H,16,17,18);3*1H2;/q;;;;;+2/p-2/b2*13-11-,14-12?;;;;