hexasodium 5-[[1-[(3,5-disulfonatophenyl)sulfonylamino]-5-oxidanidylperoxysulfanyl-7-sulfonato-naphthalen-2-yl]sulfamoyl]benzene-1,3-disulfonate

Systemtic Name: hexasodium 5-[[1-[(3,5-disulfonatophenyl)sulfonylamino]-5-oxidanidylperoxysulfanyl-7-sulfonato-naphthalen-2-yl]sulfamoyl]benzene-1,3-disulfonate Openeye Name: hexasodium 5-[[1-[(3,5-disulfonatophenyl)sulfonylamino]-5-oxidoperoxysulfanyl-7-sulfonato-2-naphthyl]sulfamoyl]benzene-1,3-disulfonate CAS Name: hexasodium 5-[[1-[(3,5-disulfonatophenyl)sulfonylamino]-5-(oxidodioxythio)-7-sulfonato-2-naphthalenyl]sulfamoyl]benzene-1,3-disulfonate IUPAC Name: hexasodium 5-[[1-[(3,5-disulfonatophenyl)sulfonylamino]-5-oxidoperoxysulfanyl-7-sulfonatonaphthalen-2-yl]sulfamoyl]benzene-1,3-disulfonate Traditional Name: hexasodium 5-[[1-[(3,5-disulfonatophenyl)sulfonylamino]-5-(oxidoperoxythio)-7-sulfonato-2-naphthyl]sulfamoyl]benzene-1,3-disulfonate Formula: C22H12N2Na6O22S8 MolecularWeight: 1050.7895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)SOO[O-])S(=O)(=O)[O-])NS(=O)(=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NS(=O)(=O)C4=CC(=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)SOO[O-])S(=O)(=O)[O-])NS(=O)(=O)C3=CC(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NS(=O)(=O)C4=CC(=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H18N2O22S8.6Na/c25-45-46-47-21-10-17(54(42,43)44)9-19-18(21)1-2-20(23-48(26,27)11-3-13(50(30,31)32)7-14(4-11)51(33,34)35)22(19)24-49(28,29)12-5-15(52(36,37)38)8-16(6-12)53(39,40)41;;;;;;/h1-10,23-25H,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;;;/q;6*+1/p-6