2-chloranyl-4-[ethyl-(3-phenyl-1-sulfanyl-propyl)amino]-5-methoxy-benzenediazonium sulfate

Systemtic Name: 2-chloranyl-4-[ethyl-(3-phenyl-1-sulfanyl-propyl)amino]-5-methoxy-benzenediazonium sulfate Openeye Name: 2-chloro-4-[ethyl-(3-phenyl-1-sulfanyl-propyl)amino]-5-methoxy-benzenediazonium sulfate CAS Name: 2-chloro-4-[ethyl-(1-mercapto-3-phenylpropyl)amino]-5-methoxybenzenediazonium sulfate IUPAC Name: 2-chloro-4-[ethyl-(3-phenyl-1-sulfanylpropyl)amino]-5-methoxybenzenediazonium sulfate Traditional Name: 2-chloro-4-[ethyl-(1-mercapto-3-phenyl-propyl)amino]-5-methoxy-benzenediazonium sulfate Formula: C18H21ClN3O5S2- MolecularWeight: 458.95944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C(=C1)Cl)[N+]#N)OC)C(CCC2=CC=CC=C2)S.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN(C1=C(C=C(C(=C1)Cl)[N+]#N)OC)C(CCC2=CC=CC=C2)S.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C18H20ClN3OS.H2O4S/c1-3-22(18(24)10-9-13-7-5-4-6-8-13)16-11-14(19)15(21-20)12-17(16)23-2;1-5(2,3)4/h4-8,11-12,18H,3,9-10H2,1-2H3;(H2,1,2,3,4)/p-1