2-[(2,4,6-trinitrophenyl)amino]ethyl thiocyanate

Systemtic Name: 2-[(2,4,6-trinitrophenyl)amino]ethyl thiocyanate Openeye Name: 2-(2,4,6-trinitroanilino)ethyl thiocyanate CAS Name: thiocyanic acid 2-(2,4,6-trinitroanilino)ethyl ester IUPAC Name: 2-(2,4,6-trinitroanilino)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(2,4,6-trinitroanilino)ethyl ester Formula: C9H7N5O6S MolecularWeight: 313.24678

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCCSC#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCCSC#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O6S/c10-5-21-2-1-11-9-7(13(17)18)3-6(12(15)16)4-8(9)14(19)20/h3-4,11H,1-2H2