(2S)-4-[[4-(2-pyren-1-ylethynyl)naphthalen-1-yl]methoxy]butane-1,2-diol

Systemtic Name: (2S)-4-[[4-(2-pyren-1-ylethynyl)naphthalen-1-yl]methoxy]butane-1,2-diol Openeye Name: (2S)-4-[[4-(2-pyren-1-ylethynyl)-1-naphthyl]methoxy]butane-1,2-diol CAS Name: (2S)-4-[[4-[2-(1-pyrenyl)ethynyl]-1-naphthalenyl]methoxy]butane-1,2-diol IUPAC Name: (2S)-4-[[4-(2-pyren-1-ylethynyl)naphthalen-1-yl]methoxy]butane-1,2-diol Traditional Name: (2S)-4-[[4-(2-pyren-1-ylethynyl)-1-naphthyl]methoxy]butane-1,2-diol Formula: C33H26O3 MolecularWeight: 470.55774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=CC=C(C2=C1)COCCC(CO)O)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1=CC=C2C(=CC=C(C2=C1)COCC[C@@H](CO)O)C#CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C33H26O3/c34-20-28(35)18-19-36-21-27-15-11-22(29-6-1-2-7-30(27)29)8-9-23-10-12-26-14-13-24-4-3-5-25-16-17-31(23)33(26)32(24)25/h1-7,10-17,28,34-35H,18-21H2/t28-/m0/s1