2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-dimethoxyphosphoryl-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-dimethoxyphosphoryl-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-dimethoxyphosphoryl-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-dimethoxyphosphoryl-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-dimethoxyphosphoryl-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-dimethoxyphosphoryl-4-hydroxy-5-keto-2-furoic acid Formula: C15H15N2O9PS MolecularWeight: 430.326361

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C1=C(C(=O)OC1(CS(=O)C2=NC3=CC=CC=C3N2)C(=O)O)O)OC

Isomeric SMILES

COP(=O)(C1=C(C(=O)OC1(CS(=O)C2=NC3=CC=CC=C3N2)C(=O)O)O)OC

InChI

InChI=1S/C15H15N2O9PS/c1-24-27(22,25-2)11-10(18)12(19)26-15(11,13(20)21)7-28(23)14-16-8-5-3-4-6-9(8)17-14/h3-6,18H,7H2,1-2H3,(H,16,17)(H,20,21)