[2-ethyl-9,10-bis(oxidanylidene)-6-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid

Systemtic Name: [2-ethyl-9,10-bis(oxidanylidene)-6-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Openeye Name: [2-ethyl-9,10-dioxo-6-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid CAS Name: [2-ethyl-9,10-dioxo-6-(sulfosulfamoyl)-1-anthracenyl]sulfonylsulfamic acid IUPAC Name: [2-ethyl-9,10-dioxo-6-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Traditional Name: [2-ethyl-9,10-diketo-6-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid Formula: C16H14N2O12S4 MolecularWeight: 554.54856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)NS(=O)(=O)O)S(=O)(=O)NS(=O)(=O)O

Isomeric SMILES

CCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)NS(=O)(=O)O)S(=O)(=O)NS(=O)(=O)O

InChI

InChI=1S/C16H14N2O12S4/c1-2-8-3-5-11-13(16(8)32(23,24)18-34(28,29)30)15(20)10-6-4-9(7-12(10)14(11)19)31(21,22)17-33(25,26)27/h3-7,17-18H,2H2,1H3,(H,25,26,27)(H,28,29,30)