dibutyl 2-[2,3-bis(fluoranyl)-4-[2-(4-propylphenyl)ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate

Systemtic Name: dibutyl 2-[2,3-bis(fluoranyl)-4-[2-(4-propylphenyl)ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate Openeye Name: dibutyl 2-[2,3-difluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate CAS Name: 2-[2,3-difluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 2-[2,3-difluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate Traditional Name: 2-[2,3-difluoro-4-[2-(4-propylphenyl)ethynyl]phenyl]-1,3-dioxolane-4,5-dicarboxylic acid dibutyl ester Formula: C30H34F2O6 MolecularWeight: 528.584166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(OC(O1)C2=C(C(=C(C=C2)C#CC3=CC=C(C=C3)CCC)F)F)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1C(OC(O1)C2=C(C(=C(C=C2)C#CC3=CC=C(C=C3)CCC)F)F)C(=O)OCCCC

InChI

InChI=1S/C30H34F2O6/c1-4-7-18-35-28(33)26-27(29(34)36-19-8-5-2)38-30(37-26)23-17-16-22(24(31)25(23)32)15-14-21-12-10-20(9-6-3)11-13-21/h10-13,16-17,26-27,30H,4-9,18-19H2,1-3H3