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

Systemtic Name: [2-ethyl-9,10-bis(oxidanylidene)-6-(sulfosulfamoyl)-1H-anthracen-2-yl]sulfonylsulfamic acid Openeye Name: [2-ethyl-9,10-dioxo-6-(sulfosulfamoyl)-1H-anthracen-2-yl]sulfonylsulfamic acid CAS Name: [2-ethyl-9,10-dioxo-6-(sulfosulfamoyl)-1H-anthracen-2-yl]sulfonylsulfamic acid IUPAC Name: [2-ethyl-9,10-dioxo-6-(sulfosulfamoyl)-1H-anthracen-2-yl]sulfonylsulfamic acid Traditional Name: [2-ethyl-9,10-diketo-6-(sulfosulfamoyl)-1H-anthracen-2-yl]sulfonylsulfamic acid Formula: C16H16N2O12S4 MolecularWeight: 556.56444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=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(CC2=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/C16H16N2O12S4/c1-2-16(32(23,24)18-34(28,29)30)6-5-11-13(8-16)15(20)10-4-3-9(7-12(10)14(11)19)31(21,22)17-33(25,26)27/h3-7,17-18H,2,8H2,1H3,(H,25,26,27)(H,28,29,30)