[4-butyl-9,10-bis(oxidanylidene)-5-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid

Systemtic Name: [4-butyl-9,10-bis(oxidanylidene)-5-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Openeye Name: [4-butyl-9,10-dioxo-5-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid CAS Name: [4-butyl-9,10-dioxo-5-(sulfosulfamoyl)-1-anthracenyl]sulfonylsulfamic acid IUPAC Name: [4-butyl-9,10-dioxo-5-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Traditional Name: [4-butyl-9,10-diketo-5-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid Formula: C18H18N2O12S4 MolecularWeight: 582.60172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C=C1)S(=O)(=O)NS(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)NS(=O)(=O)O

Isomeric SMILES

CCCCC1=C2C(=C(C=C1)S(=O)(=O)NS(=O)(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)NS(=O)(=O)O

InChI

InChI=1S/C18H18N2O12S4/c1-2-3-5-10-8-9-13(34(25,26)20-36(30,31)32)16-14(10)18(22)15-11(17(16)21)6-4-7-12(15)33(23,24)19-35(27,28)29/h4,6-9,19-20H,2-3,5H2,1H3,(H,27,28,29)(H,30,31,32)