butyl 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-iodanyl-pyrazole-3-carboxylate

Systemtic Name: butyl 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-iodanyl-pyrazole-3-carboxylate Openeye Name: butyl 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-iodo-pyrazole-3-carboxylate CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-iodo-3-pyrazolecarboxylic acid butyl ester IUPAC Name: butyl 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodopyrazole-3-carboxylate Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-iodo-pyrazole-3-carboxylic acid butyl ester Formula: C13H19IN2O6 MolecularWeight: 426.20423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN(C=C1I)C2C(C(C(O2)CO)O)O

Isomeric SMILES

CCCCOC(=O)C1=NN(C=C1I)C2C(C(C(O2)CO)O)O

InChI

InChI=1S/C13H19IN2O6/c1-2-3-4-21-13(20)9-7(14)5-16(15-9)12-11(19)10(18)8(6-17)22-12/h5,8,10-12,17-19H,2-4,6H2,1H3