5-phenyl-3,4-bis(2-phenylethynyl)benzene-1,2-diol

Systemtic Name: 5-phenyl-3,4-bis(2-phenylethynyl)benzene-1,2-diol Openeye Name: 5-phenyl-3,4-bis(2-phenylethynyl)benzene-1,2-diol CAS Name: 5-phenyl-3,4-bis(2-phenylethynyl)benzene-1,2-diol IUPAC Name: 5-phenyl-3,4-bis(2-phenylethynyl)benzene-1,2-diol Traditional Name: 5-phenyl-3,4-bis(2-phenylethynyl)pyrocatechol Formula: C28H18O2 MolecularWeight: 386.44132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(C(=C(C=C2C3=CC=CC=C3)O)O)C#CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(C(=C(C=C2C3=CC=CC=C3)O)O)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H18O2/c29-27-20-26(23-14-8-3-9-15-23)24(18-16-21-10-4-1-5-11-21)25(28(27)30)19-17-22-12-6-2-7-13-22/h1-15,20,29-30H