[2-nitro-4-(3-nitro-4-thiocyanato-phenyl)carbonyl-phenyl] thiocyanate

Systemtic Name: [2-nitro-4-(3-nitro-4-thiocyanato-phenyl)carbonyl-phenyl] thiocyanate Openeye Name: [2-nitro-4-(3-nitro-4-thiocyanato-benzoyl)phenyl] thiocyanate CAS Name: thiocyanic acid [2-nitro-4-[(3-nitro-4-thiocyanatophenyl)-oxomethyl]phenyl] ester IUPAC Name: [2-nitro-4-(3-nitro-4-thiocyanatobenzoyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [2-nitro-4-(3-nitro-4-thiocyanato-benzoyl)phenyl] ester Formula: C15H6N4O5S2 MolecularWeight: 386.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)SC#N)[N+](=O)[O-])[N+](=O)[O-])SC#N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)SC#N)[N+](=O)[O-])[N+](=O)[O-])SC#N

InChI

InChI=1S/C15H6N4O5S2/c16-7-25-13-3-1-9(5-11(13)18(21)22)15(20)10-2-4-14(26-8-17)12(6-10)19(23)24/h1-6H