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

Systemtic Name: [4-butyl-9,10-bis(oxidanylidene)-7-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Openeye Name: [4-butyl-9,10-dioxo-7-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid CAS Name: [4-butyl-9,10-dioxo-7-(sulfosulfamoyl)-1-anthracenyl]sulfonylsulfamic acid IUPAC Name: [4-butyl-9,10-dioxo-7-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Traditional Name: [4-butyl-9,10-diketo-7-(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/c1-2-3-4-10-5-8-14(34(25,26)20-36(30,31)32)16-15(10)17(21)12-7-6-11(9-13(12)18(16)22)33(23,24)19-35(27,28)29/h5-9,19-20H,2-4H2,1H3,(H,27,28,29)(H,30,31,32)