1-but-3-enyl-4-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-diol

Systemtic Name: 1-but-3-enyl-4-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-diol Openeye Name: 1-but-3-enyl-4-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-diol CAS Name: 1-but-3-enyl-4-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-diol IUPAC Name: 1-but-3-enyl-4-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-diol Traditional Name: 1-but-3-enyl-4-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-diol Formula: C18H18O2 MolecularWeight: 266.33432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1(C=CC(C=C1)(C#CC2=CC=CC=C2)O)O

Isomeric SMILES

C=CCCC1(C=CC(C=C1)(C#CC2=CC=CC=C2)O)O

InChI

InChI=1S/C18H18O2/c1-2-3-10-17(19)12-14-18(20,15-13-17)11-9-16-7-5-4-6-8-16/h2,4-8,12-15,19-20H,1,3,10H2