4-hexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate

Systemtic Name: 4-hexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate Openeye Name: 4-hexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate CAS Name: 4-hexyl-6-(1-imidazolyl)-7-nitro-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 4-hexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate Traditional Name: 4-hexyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-quinone sulfate Formula: C17H19N5O8S-2 MolecularWeight: 453.42646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H19N5O4.H2O4S/c1-2-3-4-5-7-21-13-10-14(20-8-6-18-11-20)15(22(25)26)9-12(13)19-16(23)17(21)24;1-5(2,3)4/h6,8-11H,2-5,7H2,1H3,(H,19,23);(H2,1,2,3,4)/p-2