N-[4,5,8-tris(octylsulfonylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]octane-1-sulfonamide

Systemtic Name: N-[4,5,8-tris(octylsulfonylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]octane-1-sulfonamide Openeye Name: N-[4,5,8-tris(octylsulfonylamino)-9,10-dioxo-1-anthryl]octane-1-sulfonamide CAS Name: N-[4,5,8-tris(octylsulfonylamino)-9,10-dioxo-1-anthracenyl]-1-octanesulfonamide IUPAC Name: N-[4,5,8-tris(octylsulfonylamino)-9,10-dioxoanthracen-1-yl]octane-1-sulfonamide Traditional Name: N-[9,10-diketo-4,5,8-tris(octylsulfonylamino)-1-anthryl]octane-1-sulfonamide Formula: C46H76N4O10S4 MolecularWeight: 973.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=C2C(=C(C=C1)NS(=O)(=O)CCCCCCCC)C(=O)C3=C(C=CC(=C3C2=O)NS(=O)(=O)CCCCCCCC)NS(=O)(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=C2C(=C(C=C1)NS(=O)(=O)CCCCCCCC)C(=O)C3=C(C=CC(=C3C2=O)NS(=O)(=O)CCCCCCCC)NS(=O)(=O)CCCCCCCC

InChI

InChI=1S/C46H76N4O10S4/c1-5-9-13-17-21-25-33-61(53,54)47-37-29-30-38(48-62(55,56)34-26-22-18-14-10-6-2)42-41(37)45(51)43-39(49-63(57,58)35-27-23-19-15-11-7-3)31-32-40(44(43)46(42)52)50-64(59,60)36-28-24-20-16-12-8-4/h29-32,47-50H,5-28,33-36H2,1-4H3