[4,4-dimethyl-3-phenyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl] ethanoate

Systemtic Name: [4,4-dimethyl-3-phenyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl] ethanoate Openeye Name: [1-tert-butyl-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl] acetate CAS Name: acetic acid [4,4-dimethyl-3-phenyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl] ester IUPAC Name: [4,4-dimethyl-3-phenyl-1-[2-(2-phenylethynyl)phenyl]pent-1-yn-3-yl] acetate Traditional Name: acetic acid [1-tert-butyl-1-phenyl-3-[2-(2-phenylethynyl)phenyl]prop-2-ynyl] ester Formula: C29H26O2 MolecularWeight: 406.51554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC1=CC=CC=C1C#CC2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(=O)OC(C#CC1=CC=CC=C1C#CC2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C29H26O2/c1-23(30)31-29(28(2,3)4,27-17-9-6-10-18-27)22-21-26-16-12-11-15-25(26)20-19-24-13-7-5-8-14-24/h5-18H,1-4H3