[4-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylsulfamic acid

Systemtic Name: [4-butyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylsulfamic acid Openeye Name: (4-butyl-9,10-dioxo-2-anthryl)sulfonylsulfamic acid CAS Name: (4-butyl-9,10-dioxo-2-anthracenyl)sulfonylsulfamic acid IUPAC Name: (4-butyl-9,10-dioxoanthracen-2-yl)sulfonylsulfamic acid Traditional Name: (4-butyl-9,10-diketo-2-anthryl)sulfonylsulfamic acid Formula: C18H17NO7S2 MolecularWeight: 423.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1)S(=O)(=O)NS(=O)(=O)O)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=C2C(=CC(=C1)S(=O)(=O)NS(=O)(=O)O)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO7S2/c1-2-3-6-11-9-12(27(22,23)19-28(24,25)26)10-15-16(11)18(21)14-8-5-4-7-13(14)17(15)20/h4-5,7-10,19H,2-3,6H2,1H3,(H,24,25,26)