O2-(2-methylbutyl) O1-phenyl 4-decoxy-3-fluoranyl-benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-methylbutyl) O1-phenyl 4-decoxy-3-fluoranyl-benzene-1,2-dicarboxylate Openeye Name: O2-(2-methylbutyl) O1-phenyl 4-decoxy-3-fluoro-benzene-1,2-dicarboxylate CAS Name: 4-decoxy-3-fluorobenzene-1,2-dicarboxylic acid O2-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(2-methylbutyl) 1-O-phenyl 4-decoxy-3-fluorobenzene-1,2-dicarboxylate Traditional Name: 4-decoxy-3-fluoro-benzene-1,2-dicarboxylic acid O2-(2-methylbutyl) ester O1-phenyl ester Formula: C29H39FO5 MolecularWeight: 486.615363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)CC)F

InChI

InChI=1S/C29H39FO5/c1-4-6-7-8-9-10-11-15-20-33-25-19-18-24(28(31)35-23-16-13-12-14-17-23)26(27(25)30)29(32)34-21-22(3)5-2/h12-14,16-19,22H,4-11,15,20-21H2,1-3H3