1,5-ditert-butyl-3-(2-phenylethynyl)-2-[(E)-3-phenylprop-2-enyl]benzene

Systemtic Name: 1,5-ditert-butyl-3-(2-phenylethynyl)-2-[(E)-3-phenylprop-2-enyl]benzene Openeye Name: 1,5-ditert-butyl-2-[(E)-cinnamyl]-3-(2-phenylethynyl)benzene CAS Name: 1,5-ditert-butyl-3-(2-phenylethynyl)-2-[(E)-3-phenylprop-2-enyl]benzene IUPAC Name: 1,5-ditert-butyl-3-(2-phenylethynyl)-2-[(E)-3-phenylprop-2-enyl]benzene Traditional Name: 1,5-ditert-butyl-2-[(E)-cinnamyl]-3-(2-phenylethynyl)benzene Formula: C31H34 MolecularWeight: 406.60166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C#CC2=CC=CC=C2)CC=CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C#CC2=CC=CC=C2)C/C=C/C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C31H34/c1-30(2,3)27-22-26(21-20-25-16-11-8-12-17-25)28(29(23-27)31(4,5)6)19-13-18-24-14-9-7-10-15-24/h7-18,22-23H,19H2,1-6H3/b18-13+