2-ethylhexyl [5-(3-hexadecoxyphenyl)-1-phenyl-pyrazol-3-yl] carbonate

Systemtic Name: 2-ethylhexyl [5-(3-hexadecoxyphenyl)-1-phenyl-pyrazol-3-yl] carbonate Openeye Name: 2-ethylhexyl [5-(3-hexadecoxyphenyl)-1-phenyl-pyrazol-3-yl] carbonate CAS Name: carbonic acid 2-ethylhexyl [5-(3-hexadecoxyphenyl)-1-phenyl-3-pyrazolyl] ester IUPAC Name: 2-ethylhexyl [5-(3-hexadecoxyphenyl)-1-phenylpyrazol-3-yl] carbonate Traditional Name: carbonic acid [5-(3-cetyloxyphenyl)-1-phenyl-pyrazol-3-yl] 2-ethylhexyl ester Formula: C40H60N2O4 MolecularWeight: 632.9154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C2=CC(=NN2C3=CC=CC=C3)OC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1)C2=CC(=NN2C3=CC=CC=C3)OC(=O)OCC(CC)CCCC

InChI

InChI=1S/C40H60N2O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-23-30-44-37-29-24-26-35(31-37)38-32-39(41-42(38)36-27-21-20-22-28-36)46-40(43)45-33-34(6-3)25-8-5-2/h20-22,24,26-29,31-32,34H,4-19,23,25,30,33H2,1-3H3