N,N-diethyl-4-nitroso-aniline; 3-[[ethyl-(4-nitrosophenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: N,N-diethyl-4-nitroso-aniline; 3-[[ethyl-(4-nitrosophenyl)amino]methyl]benzenesulfonic acid Openeye Name: N,N-diethyl-4-nitroso-aniline; 3-[(N-ethyl-4-nitroso-anilino)methyl]benzenesulfonic acid CAS Name: N,N-diethyl-4-nitrosoaniline; 3-[(N-ethyl-4-nitrosoanilino)methyl]benzenesulfonic acid IUPAC Name: N,N-diethyl-4-nitrosoaniline; 3-[(N-ethyl-4-nitrosoanilino)methyl]benzenesulfonic acid Traditional Name: diethyl-(4-nitrosophenyl)amine; 3-[(N-ethyl-4-nitroso-anilino)methyl]besylic acid Formula: C25H30N4O5S MolecularWeight: 498.5945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=O.CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=O.CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=O

InChI

InChI=1S/C15H16N2O4S.C10H14N2O/c1-2-17(14-8-6-13(16-18)7-9-14)11-12-4-3-5-15(10-12)22(19,20)21;1-3-12(4-2)10-7-5-9(11-13)6-8-10/h3-10H,2,11H2,1H3,(H,19,20,21);5-8H,3-4H2,1-2H3