[azaniumyl-[3-azaniumyloxysulfonyl-4-(2-azaniumyloxysulfonyl-4-azanyl-phenyl)phenyl]amino]azanium tetrachloride

Systemtic Name: [azaniumyl-[3-azaniumyloxysulfonyl-4-(2-azaniumyloxysulfonyl-4-azanyl-phenyl)phenyl]amino]azanium tetrachloride Openeye Name: [5-amino-2-[2-azaniumyloxysulfonyl-4-[bis(azaniumyl)amino]phenyl]phenyl]sulfonyloxyammonium tetrachloride CAS Name: [5-amino-2-[2-ammoniooxysulfonyl-4-(diammonioamino)phenyl]phenyl]sulfonyloxyammonium tetrachloride IUPAC Name: [5-amino-2-[2-azaniumyloxysulfonyl-4-[bis(azaniumyl)amino]phenyl]phenyl]sulfonyloxyazanium tetrachloride Traditional Name: [5-amino-2-[2-ammoniooxysulfonyl-4-(diammonioamino)phenyl]phenyl]sulfonyloxyammonium tetrachloride Formula: C12H20Cl4N6O6S2 MolecularWeight: 550.2658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O[NH3+])C2=C(C=C(C=C2)N([NH3+])[NH3+])S(=O)(=O)O[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O[NH3+])C2=C(C=C(C=C2)N([NH3+])[NH3+])S(=O)(=O)O[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C12H18N6O6S2.4ClH/c13-7-1-3-9(11(5-7)25(19,20)23-16)10-4-2-8(18(14)15)6-12(10)26(21,22)24-17;;;;/h1-6H,13-15H2,16-17H3;4*1H/q+2;;;;/p-2