3-nitro-3-thiocyanato-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-nitro-3-thiocyanato-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-nitro-3-thiocyanato-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-nitro-3-thiocyanato-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: 3-nitro-3-thiocyanatocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-nitro-3-thiocyanato-cyclohexa-1,4-diene-1-carboxylate Formula: C8H5N2O4S- MolecularWeight: 225.2013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O4S/c9-5-15-8(10(13)14)3-1-2-6(4-8)7(11)12/h1,3-4H,2H2,(H,11,12)/p-1