disodium; 3,7-dimethyl-6-oxidanylidene-purin-2-olate; 2-oxidanylbenzoate

Systemtic Name: disodium; 3,7-dimethyl-6-oxidanylidene-purin-2-olate; 2-oxidanylbenzoate Openeye Name: disodium; 3,7-dimethyl-6-oxo-purin-2-olate; 2-hydroxybenzoate CAS Name: disodium; 3,7-dimethyl-6-oxo-2-purinolate; 2-hydroxybenzoate IUPAC Name: disodium; 3,7-dimethyl-6-oxopurin-2-olate; 2-hydroxybenzoate Traditional Name: disodium; 6-keto-3,7-dimethyl-purin-2-olate; salicylate Formula: C14H12N4Na2O5 MolecularWeight: 362.24842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N=C(N2C)[O-].C1=CC=C(C(=C1)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CN1C=NC2=C1C(=O)N=C(N2C)[O-].C1=CC=C(C(=C1)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C7H8N4O2.C7H6O3.2Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;8-6-4-2-1-3-5(6)7(9)10;;/h3H,1-2H3,(H,9,12,13);1-4,8H,(H,9,10);;/q;;2*+1/p-2