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

Systemtic Name: 1-(3-methylphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Openeye Name: 1-(m-tolyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol CAS Name: 1-(3-methylphenyl)-4-phenyl-2-(2-phenylethynyl)-3-butyne-1,2-diol IUPAC Name: 1-(3-methylphenyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Traditional Name: 1-(m-tolyl)-4-phenyl-2-(2-phenylethynyl)but-3-yne-1,2-diol Formula: C25H20O2 MolecularWeight: 352.4251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O2/c1-20-9-8-14-23(19-20)24(26)25(27,17-15-21-10-4-2-5-11-21)18-16-22-12-6-3-7-13-22/h2-14,19,24,26-27H,1H3