sodium 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate

Systemtic Name: sodium 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate Openeye Name: sodium 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate CAS Name: sodium 8,9-dimethoxy-6-nitro-5-naphtho[2,1-g][1,3]benzodioxolecarboxylate IUPAC Name: sodium 8,9-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate Traditional Name: sodium 8,9-dimethoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylate Formula: C18H12NNaO8 MolecularWeight: 393.27955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)[O-])[N+](=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)[O-])[N+](=O)[O-])OC.[Na+]

InChI

InChI=1S/C18H13NO8.Na/c1-24-12-4-3-8-9(16(12)25-2)5-11(19(22)23)14-10(18(20)21)6-13-17(15(8)14)27-7-26-13;/h3-6H,7H2,1-2H3,(H,20,21);/q;+1/p-1