hex-1-yn-3-ol; [hex-1-yn-3-yloxy(diphenyl)methyl]benzene

Systemtic Name: hex-1-yn-3-ol; [hex-1-yn-3-yloxy(diphenyl)methyl]benzene Openeye Name: [1-ethynylbutoxy(diphenyl)methyl]benzene; hex-1-yn-3-ol CAS Name: 1-hexyn-3-ol; [hex-1-yn-3-yloxy(diphenyl)methyl]benzene IUPAC Name: hex-1-yn-3-ol; [hex-1-yn-3-yloxy(diphenyl)methyl]benzene Traditional Name: [diphenyl(1-propylprop-2-ynoxy)methyl]benzene; hex-1-yn-3-ol Formula: C31H34O2 MolecularWeight: 438.60046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)O.CCCC(C#C)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(C#C)O.CCCC(C#C)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H24O.C6H10O/c1-3-14-24(4-2)26-25(21-15-8-5-9-16-21,22-17-10-6-11-18-22)23-19-12-7-13-20-23;1-3-5-6(7)4-2/h2,5-13,15-20,24H,3,14H2,1H3;2,6-7H,3,5H2,1H3