5'-nitrospiro[1,4-oxazinan-4-ium-4,1'-indol-1-ium]-2'-thiolate

Systemtic Name: 5'-nitrospiro[1,4-oxazinan-4-ium-4,1'-indol-1-ium]-2'-thiolate Openeye Name: 5'-nitrospiro[1,4-oxazinan-4-ium-4,1'-indol-1-ium]-2'-thiolate CAS Name: 5'-nitro-2'-spiro[1,4-oxazinan-4-ium-4,1'-indol-1-ium]thiolate IUPAC Name: 5'-nitrospiro[1,4-oxazinan-4-ium-4,1'-indol-1-ium]-2'-thiolate Traditional Name: 5'-nitrospiro[1,4-oxazinan-4-ium-4,1'-indol-1-ium]-2'-thiolate Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]12C3=C(C=C(C=C3)[N+](=O)[O-])C=C2[S-]

Isomeric SMILES

C1COCC[N+]12C3=C(C=C(C=C3)[N+](=O)[O-])C=C2[S-]

InChI

InChI=1S/C12H12N2O3S/c15-13(16)10-1-2-11-9(7-10)8-12(18)14(11)3-5-17-6-4-14/h1-2,7-8H,3-6H2