disodium [[9,10-bis(oxidanylidene)-6-(sulfomethylsulfamoyl)anthracen-2-yl]sulfonylamino]methanesulfonic acid

Systemtic Name: disodium [[9,10-bis(oxidanylidene)-6-(sulfomethylsulfamoyl)anthracen-2-yl]sulfonylamino]methanesulfonic acid Openeye Name: disodium [[9,10-dioxo-6-(sulfomethylsulfamoyl)-2-anthryl]sulfonylamino]methanesulfonic acid CAS Name: disodium [[9,10-dioxo-6-(sulfomethylsulfamoyl)-2-anthracenyl]sulfonylamino]methanesulfonic acid IUPAC Name: disodium [[9,10-dioxo-6-(sulfomethylsulfamoyl)anthracen-2-yl]sulfonylamino]methanesulfonic acid Traditional Name: disodium [[9,10-diketo-6-(sulfomethylsulfamoyl)-2-anthryl]sulfonylamino]methanesulfonic acid Formula: C16H14N2Na2O12S4+2 MolecularWeight: 600.5281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NCS(=O)(=O)O)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NCS(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NCS(=O)(=O)O)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)NCS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C16H14N2O12S4.2Na/c19-15-11-3-1-9(33(27,28)17-7-31(21,22)23)5-13(11)16(20)12-4-2-10(6-14(12)15)34(29,30)18-8-32(24,25)26;;/h1-6,17-18H,7-8H2,(H,21,22,23)(H,24,25,26);;/q;2*+1