2-oxidanyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzoic acid Openeye Name: 2-hydroxy-4-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzoic acid CAS Name: 2-hydroxy-4-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzoic acid Traditional Name: 2-hydroxy-4-[4-(1,2,4-triazol-1-yl)benzyl]oxy-benzoic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC(=C(C=C2)C(=O)O)O)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1COC2=CC(=C(C=C2)C(=O)O)O)N3C=NC=N3

InChI

InChI=1S/C16H13N3O4/c20-15-7-13(5-6-14(15)16(21)22)23-8-11-1-3-12(4-2-11)19-10-17-9-18-19/h1-7,9-10,20H,8H2,(H,21,22)