disodium N-[2-methyl-4-[3-methyl-4-(sulfonatodiazenyl)phenyl]phenyl]iminosulfamate tetrahydrate

Systemtic Name: disodium N-[2-methyl-4-[3-methyl-4-(sulfonatodiazenyl)phenyl]phenyl]iminosulfamate tetrahydrate Openeye Name: disodium N-[2-methyl-4-(3-methyl-4-sulfonatoazo-phenyl)phenyl]iminosulfamate tetrahydrate CAS Name: disodium N-[2-methyl-4-(3-methyl-4-sulfonatoazophenyl)phenyl]iminosulfamate tetrahydrate IUPAC Name: disodium N-[2-methyl-4-[3-methyl-4-(sulfonatodiazenyl)phenyl]phenyl]iminosulfamate tetrahydrate Traditional Name: disodium N-[2-methyl-4-(3-methyl-4-sulfonatoazo-phenyl)phenyl]iminosulfamate tetrahydrate Formula: C14H20N4Na2O10S2 MolecularWeight: 514.43894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NS(=O)(=O)[O-])C)N=NS(=O)(=O)[O-].O.O.O.O.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NS(=O)(=O)[O-])C)N=NS(=O)(=O)[O-].O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/C14H14N4O6S2.2Na.4H2O/c1-9-7-11(3-5-13(9)15-17-25(19,20)21)12-4-6-14(10(2)8-12)16-18-26(22,23)24;;;;;;/h3-8H,1-2H3,(H,19,20,21)(H,22,23,24);;;4*1H2/q;2*+1;;;;/p-2