[9,10-bis(oxidanylidene)-3-propyl-anthracen-2-yl]sulfonyl-methyl-sulfamic acid

Systemtic Name: [9,10-bis(oxidanylidene)-3-propyl-anthracen-2-yl]sulfonyl-methyl-sulfamic acid Openeye Name: (9,10-dioxo-3-propyl-2-anthryl)sulfonyl-methyl-sulfamic acid CAS Name: (9,10-dioxo-3-propyl-2-anthracenyl)sulfonyl-methylsulfamic acid IUPAC Name: (9,10-dioxo-3-propylanthracen-2-yl)sulfonyl-methylsulfamic acid Traditional Name: (9,10-diketo-3-propyl-2-anthryl)sulfonyl-methyl-sulfamic acid Formula: C18H17NO7S2 MolecularWeight: 423.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N(C)S(=O)(=O)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N(C)S(=O)(=O)O

InChI

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