2-ethylhexyl [2-(5-hexadecan-3-yl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-3,4-dihydropyrazol-5-yl] carbonate

Systemtic Name: 2-ethylhexyl [2-(5-hexadecan-3-yl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-3,4-dihydropyrazol-5-yl] carbonate Openeye Name: 2-ethylhexyl [2-[5-(1-ethyltetradecyl)-6-oxo-cyclohexa-1,3-dien-1-yl]-3,4-dihydropyrazol-5-yl] carbonate CAS Name: carbonic acid 2-ethylhexyl [2-(5-hexadecan-3-yl-6-oxo-1-cyclohexa-1,3-dienyl)-3,4-dihydropyrazol-5-yl] ester IUPAC Name: 2-ethylhexyl [2-(5-hexadecan-3-yl-6-oxocyclohexa-1,3-dien-1-yl)-3,4-dihydropyrazol-5-yl] carbonate Traditional Name: carbonic acid 2-ethylhexyl [1-[5-(1-ethyltetradecyl)-6-keto-cyclohexa-1,3-dien-1-yl]-2-pyrazolin-3-yl] ester Formula: C34H58N2O4 MolecularWeight: 558.83532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)C1C=CC=C(C1=O)N2CCC(=N2)OC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCC(CC)C1C=CC=C(C1=O)N2CCC(=N2)OC(=O)OCC(CC)CCCC

InChI

InChI=1S/C34H58N2O4/c1-5-9-11-12-13-14-15-16-17-18-19-22-29(8-4)30-23-20-24-31(33(30)37)36-26-25-32(35-36)40-34(38)39-27-28(7-3)21-10-6-2/h20,23-24,28-30H,5-19,21-22,25-27H2,1-4H3