6-phenyl-3,3-bis(2-phenylethynyl)cyclohexa-1,4-diene

Systemtic Name: 6-phenyl-3,3-bis(2-phenylethynyl)cyclohexa-1,4-diene Openeye Name: 6-phenyl-3,3-bis(2-phenylethynyl)cyclohexa-1,4-diene CAS Name: 6-phenyl-3,3-bis(2-phenylethynyl)cyclohexa-1,4-diene IUPAC Name: 6-phenyl-3,3-bis(2-phenylethynyl)cyclohexa-1,4-diene Traditional Name: 6-phenyl-3,3-bis(2-phenylethynyl)cyclohexa-1,4-diene Formula: C28H20 MolecularWeight: 356.4584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2(C=CC(C=C2)C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2(C=CC(C=C2)C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H20/c1-4-10-24(11-5-1)16-20-28(21-17-25-12-6-2-7-13-25)22-18-27(19-23-28)26-14-8-3-9-15-26/h1-15,18-19,22-23,27H