sodium 4,6-bis(oxidanylidene)-1-(3-sulfophenyl)pyrimidin-2-olate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-1-(3-sulfophenyl)pyrimidin-2-olate Openeye Name: sodium 4,6-dioxo-1-(3-sulfophenyl)pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-1-(3-sulfophenyl)-2-pyrimidinolate IUPAC Name: sodium 4,6-dioxo-1-(3-sulfophenyl)pyrimidin-2-olate Traditional Name: sodium 4,6-diketo-1-(3-sulfophenyl)pyrimidin-2-olate Formula: C10H7N2NaO6S MolecularWeight: 306.22715

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(N(C1=O)C2=CC(=CC=C2)S(=O)(=O)O)[O-].[Na+]

Isomeric SMILES

C1C(=O)N=C(N(C1=O)C2=CC(=CC=C2)S(=O)(=O)O)[O-].[Na+]

InChI

InChI=1S/C10H8N2O6S.Na/c13-8-5-9(14)12(10(15)11-8)6-2-1-3-7(4-6)19(16,17)18;/h1-4H,5H2,(H,11,13,15)(H,16,17,18);/q;+1/p-1