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

Systemtic Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-diethylaminoethyl)-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide Openeye Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-diethylaminoethyl)-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide CAS Name: N2,N7-bis(4-tert-butylcyclohexyl)-N2-(2-diethylaminoethyl)-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(4-tert-butylcyclohexyl)-2-N-(2-diethylaminoethyl)-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide Traditional Name: N,N'-bis(4-tert-butylcyclohexyl)-N-(2-diethylaminoethyl)-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide Formula: C40H61N5O6S2 MolecularWeight: 772.07224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1CCC(CC1)C(C)(C)C)S(=O)(=O)C2=CC3=C(C4=C(C=CC(=C4)S(=O)(=O)NC5CCC(CC5)C(C)(C)C)C(=C3C=C2)NO)N=O

Isomeric SMILES

CCN(CC)CCN(C1CCC(CC1)C(C)(C)C)S(=O)(=O)C2=CC3=C(C4=C(C=CC(=C4)S(=O)(=O)NC5CCC(CC5)C(C)(C)C)C(=C3C=C2)NO)N=O

InChI

InChI=1S/C40H61N5O6S2/c1-9-44(10-2)23-24-45(30-17-13-28(14-18-30)40(6,7)8)53(50,51)32-20-22-34-36(26-32)38(42-47)35-25-31(19-21-33(35)37(34)41-46)52(48,49)43-29-15-11-27(12-16-29)39(3,4)5/h19-22,25-30,41,43,46H,9-18,23-24H2,1-8H3