[3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(2-phenylethynyl)phenyl] ethanoate

Systemtic Name: [3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(2-phenylethynyl)phenyl] ethanoate Openeye Name: [3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(2-phenylethynyl)phenyl] acetate CAS Name: acetic acid [3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(2-phenylethynyl)phenyl] acetate Traditional Name: acetic acid [3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(2-phenylethynyl)phenyl] ester Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCC3(OCCO3)C

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCC3(OCCO3)C

InChI

InChI=1S/C22H22O4/c1-17(23)26-21-11-10-19(9-8-18-6-4-3-5-7-18)20(16-21)12-13-22(2)24-14-15-25-22/h3-7,10-11,16H,12-15H2,1-2H3