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

Systemtic Name: O2-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-dodecoxy-3-fluoranyl-benzene-1,2-dicarboxylate Openeye Name: O2-(3-fluoro-2-methyl-butyl) O1-phenyl 4-dodecoxy-3-fluoro-benzene-1,2-dicarboxylate CAS Name: 4-dodecoxy-3-fluorobenzene-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-dodecoxy-3-fluorobenzene-1,2-dicarboxylate Traditional Name: 3-fluoro-4-lauryloxy-benzene-1,2-dicarboxylic acid O2-(3-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C31H42F2O5 MolecularWeight: 532.658986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)F)F

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)F)F

InChI

InChI=1S/C31H42F2O5/c1-4-5-6-7-8-9-10-11-12-16-21-36-27-20-19-26(30(34)38-25-17-14-13-15-18-25)28(29(27)33)31(35)37-22-23(2)24(3)32/h13-15,17-20,23-24H,4-12,16,21-22H2,1-3H3