2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-ethylsulfanyl-5-methoxy-benzenediazonium; hydrogen sulfate

Systemtic Name: 2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-4-ethylsulfanyl-5-methoxy-benzenediazonium; hydrogen sulfate Openeye Name: 2-[(2-ethoxy-2-oxo-ethyl)amino]-4-ethylsulfanyl-5-methoxy-benzenediazonium; hydrogen sulfate CAS Name: 2-[(2-ethoxy-2-oxoethyl)amino]-4-(ethylthio)-5-methoxybenzenediazonium; hydrogen sulfate IUPAC Name: 2-[(2-ethoxy-2-oxoethyl)amino]-4-ethylsulfanyl-5-methoxybenzenediazonium; hydrogen sulfate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)amino]-4-(ethylthio)-5-methoxy-benzenediazonium bisulfate Formula: C13H19N3O7S2 MolecularWeight: 393.43586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=CC(=C(C=C1[N+]#N)OC)SCC.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=CC(=C(C=C1[N+]#N)OC)SCC.OS(=O)(=O)[O-]

InChI

InChI=1S/C13H18N3O3S.H2O4S/c1-4-19-13(17)8-15-9-7-12(20-5-2)11(18-3)6-10(9)16-14;1-5(2,3)4/h6-7,15H,4-5,8H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1