1,1,6,6-tetrakis(4-phenylphenyl)hexa-2,4-diyne-1,6-diol

Systemtic Name: 1,1,6,6-tetrakis(4-phenylphenyl)hexa-2,4-diyne-1,6-diol Openeye Name: 1,1,6,6-tetrakis(4-phenylphenyl)hexa-2,4-diyne-1,6-diol CAS Name: 1,1,6,6-tetrakis(4-phenylphenyl)hexa-2,4-diyne-1,6-diol IUPAC Name: 1,1,6,6-tetrakis(4-phenylphenyl)hexa-2,4-diyne-1,6-diol Traditional Name: 1,1,6,6-tetrakis(4-phenylphenyl)hexa-2,4-diyne-1,6-diol Formula: C54H38O2 MolecularWeight: 718.87832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C#CC#CC(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O)(C7=CC=C(C=C7)C8=CC=CC=C8)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C#CC#CC(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O)(C7=CC=C(C=C7)C8=CC=CC=C8)O

InChI

InChI=1S/C54H38O2/c55-53(49-31-23-45(24-32-49)41-15-5-1-6-16-41,50-33-25-46(26-34-50)42-17-7-2-8-18-42)39-13-14-40-54(56,51-35-27-47(28-36-51)43-19-9-3-10-20-43)52-37-29-48(30-38-52)44-21-11-4-12-22-44/h1-12,15-38,55-56H