[[9,10-bis(oxidanylidene)-5-(sulfomethylsulfamoyl)anthracen-1-yl]sulfonylamino]methanesulfonic acid

Systemtic Name: [[9,10-bis(oxidanylidene)-5-(sulfomethylsulfamoyl)anthracen-1-yl]sulfonylamino]methanesulfonic acid Openeye Name: [[9,10-dioxo-5-(sulfomethylsulfamoyl)-1-anthryl]sulfonylamino]methanesulfonic acid CAS Name: [[9,10-dioxo-5-(sulfomethylsulfamoyl)-1-anthracenyl]sulfonylamino]methanesulfonic acid IUPAC Name: [[9,10-dioxo-5-(sulfomethylsulfamoyl)anthracen-1-yl]sulfonylamino]methanesulfonic acid Traditional Name: [[9,10-diketo-5-(sulfomethylsulfamoyl)-1-anthryl]sulfonylamino]methanesulfonic acid Formula: C16H14N2O12S4 MolecularWeight: 554.54856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NCS(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)NCS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NCS(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)NCS(=O)(=O)O

InChI

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