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

Systemtic Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-dimethylaminoethyl)-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide Openeye Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-dimethylaminoethyl)-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide CAS Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-dimethylaminoethyl)-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(4-tert-butylcyclohexyl)-2-N-(2-dimethylaminoethyl)-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide Traditional Name: N,N'-bis(4-tert-butylcyclohexyl)-N-(2-dimethylaminoethyl)-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide Formula: C38H57N5O6S2 MolecularWeight: 744.01908

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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(CCN(C)C)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(CCN(C)C)C5CCC(CC5)C(C)(C)C)NO

InChI

InChI=1S/C38H57N5O6S2/c1-37(2,3)25-9-13-27(14-10-25)41-50(46,47)29-17-19-31-33(23-29)36(40-45)34-24-30(18-20-32(34)35(31)39-44)51(48,49)43(22-21-42(7)8)28-15-11-26(12-16-28)38(4,5)6/h17-20,23-28,39,41,44H,9-16,21-22H2,1-8H3