4-[4-(2-pyren-1-ylethynyl)phenyl]butane-1,3-diol

Systemtic Name: 4-[4-(2-pyren-1-ylethynyl)phenyl]butane-1,3-diol Openeye Name: 4-[4-(2-pyren-1-ylethynyl)phenyl]butane-1,3-diol CAS Name: 4-[4-[2-(1-pyrenyl)ethynyl]phenyl]butane-1,3-diol IUPAC Name: 4-[4-(2-pyren-1-ylethynyl)phenyl]butane-1,3-diol Traditional Name: 4-[4-(2-pyren-1-ylethynyl)phenyl]butane-1,3-diol Formula: C28H22O2 MolecularWeight: 390.47308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)CC(CCO)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)CC(CCO)O

InChI

InChI=1S/C28H22O2/c29-17-16-25(30)18-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29-30H,16-18H2