5-[(9E,12E)-octadeca-9,12-dienoxy]-1H-pyrazole

Systemtic Name: 5-[(9E,12E)-octadeca-9,12-dienoxy]-1H-pyrazole Openeye Name: 5-[(9E,12E)-octadeca-9,12-dienoxy]-1H-pyrazole CAS Name: 5-[(9E,12E)-octadeca-9,12-dienoxy]-1H-pyrazole IUPAC Name: 5-[(9E,12E)-octadeca-9,12-dienoxy]-1H-pyrazole Traditional Name: 5-[(9E,12E)-octadeca-9,12-dienoxy]-1H-pyrazole Formula: C21H36N2O MolecularWeight: 332.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOC1=CC=NN1

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC1=CC=NN1

InChI

InChI=1S/C21H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21-18-19-22-23-21/h6-7,9-10,18-19H,2-5,8,11-17,20H2,1H3,(H,22,23)/b7-6+,10-9+