[2-chloranyl-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate

Systemtic Name: [2-chloranyl-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate Openeye Name: [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate CAS Name: thiocyanic acid [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl ester IUPAC Name: [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)phenyl]methyl thiocyanate Traditional Name: thiocyanic acid [2-chloro-3,5-dinitro-4-(thiocyanatomethyl)benzyl] ester Formula: C10H5ClN4O4S2 MolecularWeight: 344.7541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H5ClN4O4S2/c11-9-6(2-20-4-12)1-8(14(16)17)7(3-21-5-13)10(9)15(18)19/h1H,2-3H2