sodium 2-(4-nitro-2,1,3-benzoxadiazol-7-yl)cyclohexane-1,3-diol

Systemtic Name: sodium 2-(4-nitro-2,1,3-benzoxadiazol-7-yl)cyclohexane-1,3-diol Openeye Name: sodium 2-(4-nitro-2,1,3-benzoxadiazol-7-yl)cyclohexane-1,3-diol CAS Name: sodium 2-(4-nitro-2,1,3-benzoxadiazol-7-yl)cyclohexane-1,3-diol IUPAC Name: sodium 2-(4-nitro-2,1,3-benzoxadiazol-7-yl)cyclohexane-1,3-diol Traditional Name: sodium 2-(7-nitrobenzofurazan-4-yl)cyclohexane-1,3-diol Formula: C12H13N3NaO5+ MolecularWeight: 302.23849

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)O)C2=CC=C(C3=NON=C23)[N+](=O)[O-])O.[Na+]

Isomeric SMILES

C1CC(C(C(C1)O)C2=CC=C(C3=NON=C23)[N+](=O)[O-])O.[Na+]

InChI

InChI=1S/C12H13N3O5.Na/c16-8-2-1-3-9(17)10(8)6-4-5-7(15(18)19)12-11(6)13-20-14-12;/h4-5,8-10,16-17H,1-3H2;/q;+1