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

Systemtic Name: [2-(phenylmethyl)-1,2,4-triazol-3-yl]phosphonic acid Openeye Name: (2-benzyl-1,2,4-triazol-3-yl)phosphonic acid CAS Name: [2-(phenylmethyl)-1,2,4-triazol-3-yl]phosphonic acid IUPAC Name: (2-benzyl-1,2,4-triazol-3-yl)phosphonic acid Traditional Name: (2-benzyl-1,2,4-triazol-3-yl)phosphonic acid Formula: C9H10N3O3P MolecularWeight: 239.167761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N3O3P/c13-16(14,15)9-10-7-11-12(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15)