[1-tert-butyl-9,10-bis(oxidanylidene)-7-(sulfosulfamoyl)anthracen-2-yl]sulfonylsulfamic acid

Systemtic Name: [1-tert-butyl-9,10-bis(oxidanylidene)-7-(sulfosulfamoyl)anthracen-2-yl]sulfonylsulfamic acid Openeye Name: [1-tert-butyl-9,10-dioxo-7-(sulfosulfamoyl)-2-anthryl]sulfonylsulfamic acid CAS Name: [1-tert-butyl-9,10-dioxo-7-(sulfosulfamoyl)-2-anthracenyl]sulfonylsulfamic acid IUPAC Name: [1-tert-butyl-9,10-dioxo-7-(sulfosulfamoyl)anthracen-2-yl]sulfonylsulfamic acid Traditional Name: [1-tert-butyl-9,10-diketo-7-(sulfosulfamoyl)-2-anthryl]sulfonylsulfamic acid Formula: C18H18N2O12S4 MolecularWeight: 582.60172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC2=C1C(=O)C3=C(C2=O)C=CC(=C3)S(=O)(=O)NS(=O)(=O)O)S(=O)(=O)NS(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC2=C1C(=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/C18H18N2O12S4/c1-18(2,3)15-13(34(25,26)20-36(30,31)32)7-6-11-14(15)17(22)12-8-9(4-5-10(12)16(11)21)33(23,24)19-35(27,28)29/h4-8,19-20H,1-3H3,(H,27,28,29)(H,30,31,32)