4-phenyl-2-(2-phenylethynyl)-1-(2,4,6-trimethylphenyl)but-3-yne-1,2-diol

Systemtic Name: 4-phenyl-2-(2-phenylethynyl)-1-(2,4,6-trimethylphenyl)but-3-yne-1,2-diol Openeye Name: 4-phenyl-2-(2-phenylethynyl)-1-(2,4,6-trimethylphenyl)but-3-yne-1,2-diol CAS Name: 4-phenyl-2-(2-phenylethynyl)-1-(2,4,6-trimethylphenyl)-3-butyne-1,2-diol IUPAC Name: 4-phenyl-2-(2-phenylethynyl)-1-(2,4,6-trimethylphenyl)but-3-yne-1,2-diol Traditional Name: 1-mesityl-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Formula: C27H24O2 MolecularWeight: 380.47826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C(C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(C(C#CC2=CC=CC=C2)(C#CC3=CC=CC=C3)O)O)C

InChI

InChI=1S/C27H24O2/c1-20-18-21(2)25(22(3)19-20)26(28)27(29,16-14-23-10-6-4-7-11-23)17-15-24-12-8-5-9-13-24/h4-13,18-19,26,28-29H,1-3H3