8-nitro-5-oxa-3-azabicyclo[5.2.2]undeca-1(9),7,10-trien-4-one; sulfane

Systemtic Name: 8-nitro-5-oxa-3-azabicyclo[5.2.2]undeca-1(9),7,10-trien-4-one; sulfane Openeye Name: hydrogen sulfide; 8-nitro-5-oxa-3-azabicyclo[5.2.2]undeca-1(9),7,10-trien-4-one CAS Name: 8-nitro-5-oxa-3-azabicyclo[5.2.2]undeca-1(9),7,10-trien-4-one; sulfane IUPAC Name: 8-nitro-5-oxa-3-azabicyclo[5.2.2]undeca-1(9),7,10-trien-4-one; sulfane Traditional Name: hydrogen sulfide; 8-nitro-5-oxa-3-azabicyclo[5.2.2]undeca-1(9),7,10-trien-4-one Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(COC(=O)N1)C=C2)[N+](=O)[O-].S

Isomeric SMILES

C1C2=CC(=C(COC(=O)N1)C=C2)[N+](=O)[O-].S

InChI

InChI=1S/C9H8N2O4.H2S/c12-9-10-4-6-1-2-7(5-15-9)8(3-6)11(13)14;/h1-3H,4-5H2,(H,10,12);1H2