O-[3-nitro-5-[3-(3-nitrophenoxy)propoxy]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: O-[3-nitro-5-[3-(3-nitrophenoxy)propoxy]phenyl] N,N-dimethylcarbamothioate Openeye Name: O-[3-nitro-5-[3-(3-nitrophenoxy)propoxy]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[3-nitro-5-[3-(3-nitrophenoxy)propoxy]phenyl] ester IUPAC Name: O-[3-nitro-5-[3-(3-nitrophenoxy)propoxy]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[3-nitro-5-[3-(3-nitrophenoxy)propoxy]phenyl] ester Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)OC1=CC(=CC(=C1)[N+](=O)[O-])OCCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=S)OC1=CC(=CC(=C1)[N+](=O)[O-])OCCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-19(2)18(29)28-17-11-14(21(24)25)10-16(12-17)27-8-4-7-26-15-6-3-5-13(9-15)20(22)23/h3,5-6,9-12H,4,7-8H2,1-2H3