zinc 4-nitro-2-[2-(4-sulfamoylphenyl)ethylsulfamoylmethyl]phenolate

Systemtic Name: zinc 4-nitro-2-[2-(4-sulfamoylphenyl)ethylsulfamoylmethyl]phenolate Openeye Name: zinc 4-nitro-2-[2-(4-sulfamoylphenyl)ethylsulfamoylmethyl]phenolate CAS Name: zinc 4-nitro-2-[2-(4-sulfamoylphenyl)ethylsulfamoylmethyl]phenolate IUPAC Name: zinc 4-nitro-2-[2-(4-sulfamoylphenyl)ethylsulfamoylmethyl]phenolate Traditional Name: zinc 4-nitro-2-[2-(4-sulfamoylphenyl)ethylsulfamoylmethyl]phenolate Formula: C30H32N6O14S4Zn MolecularWeight: 894.27588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNS(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N.C1=CC(=CC=C1CCNS(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N.[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1CCNS(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N.C1=CC(=CC=C1CCNS(=O)(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N.[Zn+2]

InChI

InChI=1S/2C15H17N3O7S2.Zn/c2*16-27(24,25)14-4-1-11(2-5-14)7-8-17-26(22,23)10-12-9-13(18(20)21)3-6-15(12)19;/h2*1-6,9,17,19H,7-8,10H2,(H2,16,24,25);/q;;+2/p-2