N2,N7-bis(3,3-dimethylbutyl)-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide

Systemtic Name: N2,N7-bis(3,3-dimethylbutyl)-9-nitroso-10-(oxidanylamino)anthracene-2,7-disulfonamide Openeye Name: N2,N7-bis(3,3-dimethylbutyl)-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide CAS Name: N2,N7-bis(3,3-dimethylbutyl)-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide IUPAC Name: 2-N,7-N-bis(3,3-dimethylbutyl)-10-(hydroxyamino)-9-nitrosoanthracene-2,7-disulfonamide Traditional Name: N,N'-bis(3,3-dimethylbutyl)-10-(hydroxyamino)-9-nitroso-anthracene-2,7-disulfonamide Formula: C26H36N4O6S2 MolecularWeight: 564.71724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNS(=O)(=O)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=C2N=O)S(=O)(=O)NCCC(C)(C)C)NO

Isomeric SMILES

CC(C)(C)CCNS(=O)(=O)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=C2N=O)S(=O)(=O)NCCC(C)(C)C)NO

InChI

InChI=1S/C26H36N4O6S2/c1-25(2,3)11-13-27-37(33,34)17-7-9-19-21(15-17)24(30-32)22-16-18(8-10-20(22)23(19)29-31)38(35,36)28-14-12-26(4,5)6/h7-10,15-16,27-29,31H,11-14H2,1-6H3