O2-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-octadecoxybenzene-1,2-dicarboxylate

Systemtic Name: O2-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-octadecoxybenzene-1,2-dicarboxylate Openeye Name: O2-(3-fluoro-2-methyl-butyl) O1-phenyl 4-octadecoxybenzene-1,2-dicarboxylate CAS Name: 4-octadecoxybenzene-1,2-dicarboxylic acid O2-(3-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(3-fluoro-2-methylbutyl) 1-O-phenyl 4-octadecoxybenzene-1,2-dicarboxylate Traditional Name: 4-stearyloxybenzene-1,2-dicarboxylic acid O2-(3-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C37H55FO5 MolecularWeight: 598.828003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)F

InChI

InChI=1S/C37H55FO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-41-33-25-26-34(37(40)43-32-23-20-19-21-24-32)35(28-33)36(39)42-29-30(2)31(3)38/h19-21,23-26,28,30-31H,4-18,22,27,29H2,1-3H3