[2-(3-hexadecoxyphenyl)-3,4-dihydropyrazol-5-yl] 3-ethylheptaneperoxoate

Systemtic Name: [2-(3-hexadecoxyphenyl)-3,4-dihydropyrazol-5-yl] 3-ethylheptaneperoxoate Openeye Name: [2-(3-hexadecoxyphenyl)-3,4-dihydropyrazol-5-yl] 3-ethylheptaneperoxoate CAS Name: 3-ethylheptaneperoxoic acid [2-(3-hexadecoxyphenyl)-3,4-dihydropyrazol-5-yl] ester IUPAC Name: [2-(3-hexadecoxyphenyl)-3,4-dihydropyrazol-5-yl] 3-ethylheptaneperoxoate Traditional Name: 3-ethylperoxyenanthic acid [1-(3-cetyloxyphenyl)-2-pyrazolin-3-yl] ester Formula: C34H58N2O4 MolecularWeight: 558.83532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)N2CCC(=N2)OOC(=O)CC(CC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)N2CCC(=N2)OOC(=O)CC(CC)CCCC

InChI

InChI=1S/C34H58N2O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-27-38-32-24-21-23-31(29-32)36-26-25-33(35-36)39-40-34(37)28-30(6-3)22-8-5-2/h21,23-24,29-30H,4-20,22,25-28H2,1-3H3