zinc N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate

Systemtic Name: zinc N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate Openeye Name: zinc N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate CAS Name: zinc N-[4-[[[(2-chlorophenyl)sulfonylamino]-oxomethyl]sulfamoyl]phenyl]carbamodithioate IUPAC Name: zinc N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate Traditional Name: zinc N-[4-[(2-chlorophenyl)sulfonylcarbamoylsulfamoyl]phenyl]carbamodithioate Formula: C28H22Cl2N6O10S8Zn MolecularWeight: 995.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H12ClN3O5S4.Zn/c2*15-11-3-1-2-4-12(11)27(22,23)18-13(19)17-26(20,21)10-7-5-9(6-8-10)16-14(24)25;/h2*1-8H,(H2,16,24,25)(H2,17,18,19);/q;;+2/p-2