[9,10-bis(oxidanylidene)-3-propyl-6-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid

Systemtic Name: [9,10-bis(oxidanylidene)-3-propyl-6-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Openeye Name: [9,10-dioxo-3-propyl-6-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid CAS Name: [9,10-dioxo-3-propyl-6-(sulfosulfamoyl)-1-anthracenyl]sulfonylsulfamic acid IUPAC Name: [9,10-dioxo-3-propyl-6-(sulfosulfamoyl)anthracen-1-yl]sulfonylsulfamic acid Traditional Name: [9,10-diketo-3-propyl-6-(sulfosulfamoyl)-1-anthryl]sulfonylsulfamic acid Formula: C17H16N2O12S4 MolecularWeight: 568.57514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=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

CCCC1=CC(=C2C(=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/C17H16N2O12S4/c1-2-3-9-6-13-15(14(7-9)33(24,25)19-35(29,30)31)17(21)11-5-4-10(8-12(11)16(13)20)32(22,23)18-34(26,27)28/h4-8,18-19H,2-3H2,1H3,(H,26,27,28)(H,29,30,31)