dibutyl 4-(1,3-dioxolan-2-yl)-5-(2-phenylethynyl)benzene-1,2-dicarboxylate

Systemtic Name: dibutyl 4-(1,3-dioxolan-2-yl)-5-(2-phenylethynyl)benzene-1,2-dicarboxylate Openeye Name: dibutyl 4-(1,3-dioxolan-2-yl)-5-(2-phenylethynyl)benzene-1,2-dicarboxylate CAS Name: 4-(1,3-dioxolan-2-yl)-5-(2-phenylethynyl)benzene-1,2-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 4-(1,3-dioxolan-2-yl)-5-(2-phenylethynyl)benzene-1,2-dicarboxylate Traditional Name: 4-(1,3-dioxolan-2-yl)-5-(2-phenylethynyl)benzene-1,2-dicarboxylic acid dibutyl ester Formula: C27H30O6 MolecularWeight: 450.5235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C(=C1)C#CC2=CC=CC=C2)C3OCCO3)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C(=C1)C#CC2=CC=CC=C2)C3OCCO3)C(=O)OCCCC

InChI

InChI=1S/C27H30O6/c1-3-5-14-30-25(28)23-18-21(13-12-20-10-8-7-9-11-20)22(27-32-16-17-33-27)19-24(23)26(29)31-15-6-4-2/h7-11,18-19,27H,3-6,14-17H2,1-2H3