[1-oxidanyl-2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-phosphono-ethyl]phosphonic acid Formula: C10H12N2O7P2S MolecularWeight: 366.224002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NSC(=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NSC(=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H12N2O7P2S/c13-10(20(14,15)16,21(17,18)19)6-8-11-9(12-22-8)7-4-2-1-3-5-7/h1-5,13H,6H2,(H2,14,15,16)(H2,17,18,19)