(E)-[4,5-bis(oxidanylidene)-2-thiophen-2-yl-1H-pyrimidin-6-ylidene]-oxidanyl-methanolate

Systemtic Name: (E)-[4,5-bis(oxidanylidene)-2-thiophen-2-yl-1H-pyrimidin-6-ylidene]-oxidanyl-methanolate Openeye Name: (E)-[4,5-dioxo-2-(2-thienyl)-1H-pyrimidin-6-ylidene]-hydroxy-methanolate CAS Name: (E)-(4,5-dioxo-2-thiophen-2-yl-1H-pyrimidin-6-ylidene)-hydroxymethanolate IUPAC Name: (E)-(4,5-dioxo-2-thiophen-2-yl-1H-pyrimidin-6-ylidene)-hydroxymethanolate Traditional Name: (E)-[4,5-diketo-2-(2-thienyl)-1H-pyrimidin-6-ylidene]-hydroxy-methanolate Formula: C9H5N2O4S- MolecularWeight: 237.212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=O)C(=O)C(=C(O)[O-])N2

Isomeric SMILES

C1=CSC(=C1)C2=NC(=O)C(=O)/C(=C(\O)/[O-])/N2

InChI

InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,14-15H,(H,10,11,13)/p-1