1-phenyl-1,6-bis[2-(2-phenylethynyl)phenyl]hexa-2,4-diyne-1,6-diol

Systemtic Name: 1-phenyl-1,6-bis[2-(2-phenylethynyl)phenyl]hexa-2,4-diyne-1,6-diol Openeye Name: 1-phenyl-1,6-bis[2-(2-phenylethynyl)phenyl]hexa-2,4-diyne-1,6-diol CAS Name: 1-phenyl-1,6-bis[2-(2-phenylethynyl)phenyl]hexa-2,4-diyne-1,6-diol IUPAC Name: 1-phenyl-1,6-bis[2-(2-phenylethynyl)phenyl]hexa-2,4-diyne-1,6-diol Traditional Name: 1-phenyl-1,6-bis[2-(2-phenylethynyl)phenyl]hexa-2,4-diyne-1,6-diol Formula: C40H26O2 MolecularWeight: 538.63324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2C(C#CC#CC(C3=CC=CC=C3)(C4=CC=CC=C4C#CC5=CC=CC=C5)O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2C(C#CC#CC(C3=CC=CC=C3)(C4=CC=CC=C4C#CC5=CC=CC=C5)O)O

InChI

InChI=1S/C40H26O2/c41-39(37-24-12-10-20-34(37)29-27-32-16-4-1-5-17-32)26-14-15-31-40(42,36-22-8-3-9-23-36)38-25-13-11-21-35(38)30-28-33-18-6-2-7-19-33/h1-13,16-25,39,41-42H