zinc 4-nitro-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]phenolate

Systemtic Name: zinc 4-nitro-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]phenolate Openeye Name: zinc 4-nitro-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]phenolate CAS Name: zinc 4-nitro-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]phenolate IUPAC Name: zinc 4-nitro-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]phenolate Traditional Name: zinc 4-nitro-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]phenolate Formula: C18H16N10O14S6Zn MolecularWeight: 854.17724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)[O-].C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)[O-].[Zn+2]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)[O-].C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)[O-].[Zn+2]

InChI

InChI=1S/2C9H9N5O7S3.Zn/c2*10-24(20,21)9-12-11-8(22-9)13-23(18,19)4-5-3-6(14(16)17)1-2-7(5)15;/h2*1-3,15H,4H2,(H,11,13)(H2,10,20,21);/q;;+2/p-2