[5-oxidanylidene-2-(phenylmethyl)-1H-1,2,4-triazol-3-yl]phosphonic acid

Systemtic Name: [5-oxidanylidene-2-(phenylmethyl)-1H-1,2,4-triazol-3-yl]phosphonic acid Openeye Name: (2-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)phosphonic acid CAS Name: [5-oxo-2-(phenylmethyl)-1H-1,2,4-triazol-3-yl]phosphonic acid IUPAC Name: (2-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)phosphonic acid Traditional Name: (2-benzyl-5-keto-1H-1,2,4-triazol-3-yl)phosphonic acid Formula: C9H10N3O4P MolecularWeight: 255.167161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=O)N2)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=O)N2)P(=O)(O)O

InChI

InChI=1S/C9H10N3O4P/c13-8-10-9(17(14,15)16)12(11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)(H2,14,15,16)