methyl 2-[4,5-bis(hydroxymethyl)-1,2,3-triazol-1-yl]benzoate

Systemtic Name: methyl 2-[4,5-bis(hydroxymethyl)-1,2,3-triazol-1-yl]benzoate Openeye Name: methyl 2-[4,5-bis(hydroxymethyl)triazol-1-yl]benzoate CAS Name: 2-[4,5-bis(hydroxymethyl)-1-triazolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4,5-bis(hydroxymethyl)triazol-1-yl]benzoate Traditional Name: 2-(4,5-dimethyloltriazol-1-yl)benzoic acid methyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=C(N=N2)CO)CO

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=C(N=N2)CO)CO

InChI

InChI=1S/C12H13N3O4/c1-19-12(18)8-4-2-3-5-10(8)15-11(7-17)9(6-16)13-14-15/h2-5,16-17H,6-7H2,1H3