N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-hydroxyethyl)-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide

Systemtic Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-hydroxyethyl)-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide Openeye Name: N2,N7-bis(4-tert-butylcyclohexyl)-10-(hydroxyamino)-N2-(2-hydroxyethyl)-9-nitroso-anthracene-2,7-disulfonamide CAS Name: N2,N7-bis(4-tert-butylcyclohexyl)-10-(hydroxyamino)-N2-(2-hydroxyethyl)-9-nitrosoanthracene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(4-tert-butylcyclohexyl)-10-(hydroxyamino)-2-N-(2-hydroxyethyl)-9-nitrosoanthracene-2,7-disulfonamide Traditional Name: N,N'-bis(4-tert-butylcyclohexyl)-10-(hydroxyamino)-N-(2-hydroxyethyl)-9-nitroso-anthracene-2,7-disulfonamide Formula: C36H52N4O7S2 MolecularWeight: 716.95068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N(CCO)C5CCC(CC5)C(C)(C)C)NO

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N(CCO)C5CCC(CC5)C(C)(C)C)NO

InChI

InChI=1S/C36H52N4O7S2/c1-35(2,3)23-7-11-25(12-8-23)39-48(44,45)27-15-17-29-31(21-27)34(38-43)32-22-28(16-18-30(32)33(29)37-42)49(46,47)40(19-20-41)26-13-9-24(10-14-26)36(4,5)6/h15-18,21-26,37,39,41-42H,7-14,19-20H2,1-6H3